Stenbolone (C20H30O2)

Structural Information

Molecular Formula

SMILES

CC1=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C

InChI

InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h11,13-16,18,22H,4-10H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1

InChIKey

GYBGISLVORKLBN-YNZDMMAESA-N

Compound name

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-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]+	303.231856	175.5
[M+Na]+	325.213798	181.5
[M-H]-	301.217304	178.9
[M+NH4]+	320.258403	198.9
[M+K]+	341.187738	175.4
[M+H-H2O]+	285.221840	169.7
[M+HCOO]-	347.222781	184.8
[M+CH3COO]-	361.238431	184.8
[M+Na-2H]-	323.199246	175.2
[M]+	302.22403142	168.7
[M]-	302.22512858	168.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.231856

175.5

[M+Na]+

325.213798

181.5

[M-H]-

301.217304

178.9

[M+NH4]+

320.258403

198.9

[M+K]+

341.187738

175.4

[M+H-H2O]+

285.221840

169.7

[M+HCOO]-

347.222781

184.8

[M+CH3COO]-

361.238431

184.8

[M+Na-2H]-

323.199246

175.2

[M]+

302.22403142

168.7

[M]-

302.22512858

168.7

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

Stenbolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe