PubChemLite - 2beta-hydroxytestosterone (C19H28O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@H](C[C@]34C)O

InChI

InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1

InChIKey

ZOIPFFUVGMVQGE-LXKHFVGGSA-N

Compound name

(2S,8R,9S,10R,13S,14S,17S)-2,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-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]+	305.21114	174.5
[M+Na]+	327.19308	180.5
[M-H]-	303.19658	176.7
[M+NH4]+	322.23768	197.2
[M+K]+	343.16702	174.5
[M+H-H2O]+	287.20112	169.3
[M+HCOO]-	349.20206	182.8
[M+CH3COO]-	363.21771	183.5
[M+Na-2H]-	325.17853	174.8
[M]+	304.20331	167.4
[M]-	304.20441	167.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.21114

174.5

[M+Na]+

327.19308

180.5

[M-H]-

303.19658

176.7

[M+NH4]+

322.23768

197.2

[M+K]+

343.16702

174.5

[M+H-H2O]+

287.20112

169.3

[M+HCOO]-

349.20206

182.8

[M+CH3COO]-

363.21771

183.5

[M+Na-2H]-

325.17853

174.8

[M]+

304.20331

167.4

[M]-

304.20441

167.4

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

2beta-hydroxytestosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe