PubChemLite - Androstanedione (C19H28O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C

InChI

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1

InChIKey

RAJWOBJTTGJROA-WZNAKSSCSA-N

Compound name

(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

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]+	289.21620	173.5
[M+Na]+	311.19814	182.5
[M+NH4]+	306.24274	186.4
[M+K]+	327.17208	172.7
[M-H]-	287.20164	176.2
[M+Na-2H]-	309.18359	175.6
[M]+	288.20837	175.7
[M]-	288.20947	175.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

289.21620

173.5

[M+Na]+

311.19814

182.5

[M+NH4]+

306.24274

186.4

[M+K]+

327.17208

172.7

[M-H]-

287.20164

176.2

[M+Na-2H]-

309.18359

175.6

[M]+

288.20837

175.7

[M]-

288.20947

175.7

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

Androstanedione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe