PubChemLite - 1-androstenedione (C19H26O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C

InChI

InChI=1S/C19H26O2/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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1

InChIKey

WJIQCDPCDVWDDE-WZNAKSSCSA-N

Compound name

(5S,8R,9S,10R,13S,14S)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-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]+	287.20055	171.8
[M+Na]+	309.18249	181.7
[M+NH4]+	304.22709	184.8
[M+K]+	325.15643	171.7
[M-H]-	285.18599	174.7
[M+Na-2H]-	307.16794	174.8
[M]+	286.19272	174.2
[M]-	286.19382	174.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

287.20055

171.8

[M+Na]+

309.18249

181.7

[M+NH4]+

304.22709

184.8

[M+K]+

325.15643

171.7

[M-H]-

285.18599

174.7

[M+Na-2H]-

307.16794

174.8

[M]+

286.19272

174.2

[M]-

286.19382

174.2

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

1-androstenedione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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