PubChemLite - Testosterone decanoate (C29H46O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1

InChIKey

LBERVHLCXUMDOT-MPZZESAYSA-N

Compound name

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] decanoate

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]+	443.35198	217.3
[M+Na]+	465.33392	224.2
[M+NH4]+	460.37852	227.8
[M+K]+	481.30786	213.3
[M-H]-	441.33742	219.0
[M+Na-2H]-	463.31937	217.0
[M]+	442.34415	218.8
[M]-	442.34525	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.35198

217.3

[M+Na]+

465.33392

224.2

[M+NH4]+

460.37852

227.8

[M+K]+

481.30786

213.3

[M-H]-

441.33742

219.0

[M+Na-2H]-

463.31937

217.0

[M]+

442.34415

218.8

[M]-

442.34525

218.8

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

Testosterone decanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe