PubChemLite - (16r)-ent-kauran-16-ol (C20H34O)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)(C)C

InChI

InChI=1S/C20H34O/c1-17(2)9-5-10-18(3)15(17)8-11-20-12-14(6-7-16(18)20)19(4,21)13-20/h14-16,21H,5-13H2,1-4H3/t14-,15-,16+,18-,19-,20+/m1/s1

InChIKey

FZSRMADKTOBCNT-HFJXXIIPSA-N

Compound name

(1S,4R,9R,10R,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol

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]+	291.26824	175.2
[M+Na]+	313.25018	180.7
[M-H]-	289.25368	177.6
[M+NH4]+	308.29478	202.7
[M+K]+	329.22412	174.6
[M+H-H2O]+	273.25822	168.7
[M+HCOO]-	335.25916	182.8
[M+CH3COO]-	349.27481	184.2
[M+Na-2H]-	311.23563	177.2
[M]+	290.26041	168.2
[M]-	290.26151	168.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

291.26824

175.2

[M+Na]+

313.25018

180.7

[M-H]-

289.25368

177.6

[M+NH4]+

308.29478

202.7

[M+K]+

329.22412

174.6

[M+H-H2O]+

273.25822

168.7

[M+HCOO]-

335.25916

182.8

[M+CH3COO]-

349.27481

184.2

[M+Na-2H]-

311.23563

177.2

[M]+

290.26041

168.2

[M]-

290.26151

168.2

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

(16r)-ent-kauran-16-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe