PubChemLite - 6beta-hydroxymethandrostenolone (C20H28O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H28O3/c1-18-7-4-12(21)10-16(18)17(22)11-13-14(18)5-8-19(2)15(13)6-9-20(19,3)23/h4,7,10,13-15,17,22-23H,5-6,8-9,11H2,1-3H3/t13-,14+,15+,17-,18-,19+,20+/m1/s1

InChIKey

OBCJFTMGLMNCTJ-INIPNLRTSA-N

Compound name

(6R,8R,9S,10R,13S,14S,17S)-6,17-dihydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-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]+	317.21114	176.4
[M+Na]+	339.19308	185.9
[M+NH4]+	334.23768	189.7
[M+K]+	355.16702	175.3
[M-H]-	315.19658	178.3
[M+Na-2H]-	337.17853	180.1
[M]+	316.20331	178.7
[M]-	316.20441	178.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

317.21114

176.4

[M+Na]+

339.19308

185.9

[M+NH4]+

334.23768

189.7

[M+K]+

355.16702

175.3

[M-H]-

315.19658

178.3

[M+Na-2H]-

337.17853

180.1

[M]+

316.20331

178.7

[M]-

316.20441

178.7

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

6beta-hydroxymethandrostenolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe