PubChemLite - 5alpha-androstan-3beta-ol (C19H32O)

Structural Information

Molecular Formula

SMILES

C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC2)C)O

InChI

InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1

InChIKey

DJTOLSNIKJIDFF-LOVVWNRFSA-N

Compound name

(3S,5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-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]+	277.25261	172.3
[M+Na]+	299.23455	175.7
[M-H]-	275.23805	174.7
[M+NH4]+	294.27915	196.1
[M+K]+	315.20849	169.8
[M+H-H2O]+	259.24259	165.7
[M+HCOO]-	321.24353	180.1
[M+CH3COO]-	335.25918	180.7
[M+Na-2H]-	297.22000	172.1
[M]+	276.24478	162.0
[M]-	276.24588	162.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

277.25261

172.3

[M+Na]+

299.23455

175.7

[M-H]-

275.23805

174.7

[M+NH4]+

294.27915

196.1

[M+K]+

315.20849

169.8

[M+H-H2O]+

259.24259

165.7

[M+HCOO]-

321.24353

180.1

[M+CH3COO]-

335.25918

180.7

[M+Na-2H]-

297.22000

172.1

[M]+

276.24478

162.0

[M]-

276.24588

162.0

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

5alpha-androstan-3beta-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe