PubChemLite - 6beta-hydroxytestosterone (C19H28O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O

InChI

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

InChIKey

XSEGWEUVSZRCBC-ZVBLRVHNSA-N

Compound name

(6R,8R,9S,10R,13S,14S,17S)-6,17-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	174.3
[M+Na]+	327.19308	183.0
[M+NH4]+	322.23768	186.3
[M+K]+	343.16702	174.5
[M-H]-	303.19658	176.0
[M+Na-2H]-	325.17853	175.8
[M]+	304.20331	176.1
[M]-	304.20441	176.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.21114

174.3

[M+Na]+

327.19308

183.0

[M+NH4]+

322.23768

186.3

[M+K]+

343.16702

174.5

[M-H]-

303.19658

176.0

[M+Na-2H]-

325.17853

175.8

[M]+

304.20331

176.1

[M]-

304.20441

176.1

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

6beta-hydroxytestosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe