PubChemLite - Oxandrolone (C19H30O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C

InChI

InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1

InChIKey

QSLJIVKCVHQPLV-PEMPUTJUSA-N

Compound name

(1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-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]+	307.22676	174.1
[M+Na]+	329.20870	179.9
[M-H]-	305.21220	177.8
[M+NH4]+	324.25330	197.7
[M+K]+	345.18264	175.9
[M+H-H2O]+	289.21674	168.4
[M+HCOO]-	351.21768	181.5
[M+CH3COO]-	365.23333	183.4
[M+Na-2H]-	327.19415	176.2
[M]+	306.21893	167.9
[M]-	306.22003	167.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

307.22676

174.1

[M+Na]+

329.20870

179.9

[M-H]-

305.21220

177.8

[M+NH4]+

324.25330

197.7

[M+K]+

345.18264

175.9

[M+H-H2O]+

289.21674

168.4

[M+HCOO]-

351.21768

181.5

[M+CH3COO]-

365.23333

183.4

[M+Na-2H]-

327.19415

176.2

[M]+

306.21893

167.9

[M]-

306.22003

167.9

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

Oxandrolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe