PubChemLite - 1,8-methanobenz[c]inden-10(1h)-one, decahydro-11-hydroxy-2,5,9,9-tetramethyl-7-(1-methylethyl)-, (1r,2s,4ar,5s,6as,7s,10as,11s)- (C21H34O2)

Structural Information

Molecular Formula

SMILES

C[C@H]1CC[C@@H]2[C@H](C[C@@H]3[C@]24[C@@H]1[C@H](C([C@H]3C(C)C)C(C4=O)(C)C)O)C

InChI

InChI=1S/C21H34O2/c1-10(2)15-14-9-12(4)13-8-7-11(3)16-18(22)17(15)20(5,6)19(23)21(13,14)16/h10-18,22H,7-9H2,1-6H3/t11-,12-,13+,14-,15-,16-,17?,18+,21-/m0/s1

InChIKey

FTNKLTKYYUXIOY-HQUSNDGJSA-N

Compound name

(2S,3S,5S,6R,9S,10R,11S,14S)-14-hydroxy-5,9,13,13-tetramethyl-2-propan-2-yltetracyclo[8.3.1.03,11.06,11]tetradecan-12-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.26318	179.4
[M+Na]+	341.24512	183.7
[M-H]-	317.24862	177.8
[M+NH4]+	336.28972	204.5
[M+K]+	357.21906	178.2
[M+H-H2O]+	301.25316	174.1
[M+HCOO]-	363.25410	181.8
[M+CH3COO]-	377.26975	187.1
[M+Na-2H]-	339.23057	179.1
[M]+	318.25535	178.7
[M]-	318.25645	178.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

319.26318

179.4

[M+Na]+

341.24512

183.7

[M-H]-

317.24862

177.8

[M+NH4]+

336.28972

204.5

[M+K]+

357.21906

178.2

[M+H-H2O]+

301.25316

174.1

[M+HCOO]-

363.25410

181.8

[M+CH3COO]-

377.26975

187.1

[M+Na-2H]-

339.23057

179.1

[M]+

318.25535

178.7

[M]-

318.25645

178.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,8-methanobenz[c]inden-10(1h)-one, decahydro-11-hydroxy-2,5,9,9-tetramethyl-7-(1-methylethyl)-, (1r,2s,4ar,5s,6as,7s,10as,11s)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe