PubChemLite - 1446-61-3 (C20H31N)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C

InChI

InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1

InChIKey

JVVXZOOGOGPDRZ-SLFFLAALSA-N

Compound name

[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine

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]+	286.25292	172.4
[M+Na]+	308.23486	177.5
[M-H]-	284.23836	176.0
[M+NH4]+	303.27946	193.9
[M+K]+	324.20880	172.7
[M+H-H2O]+	268.24290	165.6
[M+HCOO]-	330.24384	186.2
[M+CH3COO]-	344.25949	208.6
[M+Na-2H]-	306.22031	174.8
[M]+	285.24509	167.1
[M]-	285.24619	167.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

286.25292

172.4

[M+Na]+

308.23486

177.5

[M-H]-

284.23836

176.0

[M+NH4]+

303.27946

193.9

[M+K]+

324.20880

172.7

[M+H-H2O]+

268.24290

165.6

[M+HCOO]-

330.24384

186.2

[M+CH3COO]-

344.25949

208.6

[M+Na-2H]-

306.22031

174.8

[M]+

285.24509

167.1

[M]-

285.24619

167.1

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

1446-61-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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