2alpha-methylandrosterone (C20H32O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-17,21H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,17+,19+,20+/m1/s1

InChIKey

FDGQIVOIHOIMNK-URBDGJAYSA-N

Compound name

(2R,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-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]+	305.247506	177.1
[M+Na]+	327.229448	182.0
[M-H]-	303.232954	179.9
[M+NH4]+	322.274053	200.3
[M+K]+	343.203388	176.1
[M+H-H2O]+	287.237490	171.3
[M+HCOO]-	349.238431	184.8
[M+CH3COO]-	363.254081	185.7
[M+Na-2H]-	325.214896	175.8
[M]+	304.23968142	168.8
[M]-	304.24077858	168.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.247506

177.1

[M+Na]+

327.229448

182.0

[M-H]-

303.232954

179.9

[M+NH4]+

322.274053

200.3

[M+K]+

343.203388

176.1

[M+H-H2O]+

287.237490

171.3

[M+HCOO]-

349.238431

184.8

[M+CH3COO]-

363.254081

185.7

[M+Na-2H]-

325.214896

175.8

[M]+

304.23968142

168.8

[M]-

304.24077858

168.8

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

2alpha-methylandrosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe