PubChemLite - Androsterone (C19H30O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

InChI

InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1

InChIKey

QGXBDMJGAMFCBF-HLUDHZFRSA-N

Compound name

(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-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]+	291.23186	173.4
[M+Na]+	313.21380	177.9
[M-H]-	289.21730	176.2
[M+NH4]+	308.25840	196.9
[M+K]+	329.18774	172.1
[M+H-H2O]+	273.22184	167.4
[M+HCOO]-	335.22278	181.6
[M+CH3COO]-	349.23843	182.2
[M+Na-2H]-	311.19925	173.1
[M]+	290.22403	164.4
[M]-	290.22513	164.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

291.23186

173.4

[M+Na]+

313.21380

177.9

[M-H]-

289.21730

176.2

[M+NH4]+

308.25840

196.9

[M+K]+

329.18774

172.1

[M+H-H2O]+

273.22184

167.4

[M+HCOO]-

335.22278

181.6

[M+CH3COO]-

349.23843

182.2

[M+Na-2H]-

311.19925

173.1

[M]+

290.22403

164.4

[M]-

290.22513

164.4

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

Androsterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe