PubChemLite - 14-hydroxytestosterone (C19H28O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@]3(CC[C@@H]4O)O)C

InChI

InChI=1S/C19H28O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-16,21-22H,3-10H2,1-2H3/t14-,15+,16-,17-,18+,19+/m0/s1

InChIKey

GLOZYJRFVSVZDB-XNIJUTNWSA-N

Compound name

(8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[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	174.8
[M+Na]+	327.19308	183.1
[M+NH4]+	322.23768	188.1
[M+K]+	343.16702	172.8
[M-H]-	303.19658	176.4
[M+Na-2H]-	325.17853	177.9
[M]+	304.20331	176.7
[M]-	304.20441	176.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.21114

174.8

[M+Na]+

327.19308

183.1

[M+NH4]+

322.23768

188.1

[M+K]+

343.16702

172.8

[M-H]-

303.19658

176.4

[M+Na-2H]-

325.17853

177.9

[M]+

304.20331

176.7

[M]-

304.20441

176.7

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

14-hydroxytestosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe