PubChemLite - Methandrostenolone (C20H28O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1

InChIKey

XWALNWXLMVGSFR-HLXURNFRSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-hydroxy-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]+	301.21620	174.6
[M+Na]+	323.19814	184.7
[M+NH4]+	318.24274	188.8
[M+K]+	339.17208	173.1
[M-H]-	299.20164	177.4
[M+Na-2H]-	321.18359	179.3
[M]+	300.20837	177.3
[M]-	300.20947	177.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

301.21620

174.6

[M+Na]+

323.19814

184.7

[M+NH4]+

318.24274

188.8

[M+K]+

339.17208

173.1

[M-H]-

299.20164

177.4

[M+Na-2H]-

321.18359

179.3

[M]+

300.20837

177.3

[M]-

300.20947

177.3

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

Methandrostenolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe