Oxogestone (C20H30O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H30O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11-12,15-19,21H,3-10H2,1-2H3/t12-,15+,16-,17-,18-,19+,20-/m1/s1

InChIKey

CNOGNHFPIBORED-JIKCGYBYSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-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]+	303.231856	176.0
[M+Na]+	325.213798	179.5
[M-H]-	301.217304	178.7
[M+NH4]+	320.258403	197.0
[M+K]+	341.187738	173.9
[M+H-H2O]+	285.221840	170.0
[M+HCOO]-	347.222781	184.3
[M+CH3COO]-	361.238431	184.4
[M+Na-2H]-	323.199246	174.1
[M]+	302.22403142	167.8
[M]-	302.22512858	167.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.231856

176.0

[M+Na]+

325.213798

179.5

[M-H]-

301.217304

178.7

[M+NH4]+

320.258403

197.0

[M+K]+

341.187738

173.9

[M+H-H2O]+

285.221840

170.0

[M+HCOO]-

347.222781

184.3

[M+CH3COO]-

361.238431

184.4

[M+Na-2H]-

323.199246

174.1

[M]+

302.22403142

167.8

[M]-

302.22512858

167.8

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

Oxogestone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe