PubChemLite - Testosterone propionate (C22H32O3)

Structural Information

Molecular Formula

SMILES

CCC(=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/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1

InChIKey

PDMMFKSKQVNJMI-BLQWBTBKSA-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] propanoate

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]+	345.24242	186.5
[M+Na]+	367.22436	190.9
[M-H]-	343.22786	190.4
[M+NH4]+	362.26896	208.3
[M+K]+	383.19830	185.8
[M+H-H2O]+	327.23240	179.9
[M+HCOO]-	389.23334	195.9
[M+CH3COO]-	403.24899	214.4
[M+Na-2H]-	365.20981	185.2
[M]+	344.23459	181.8
[M]-	344.23569	181.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.24242

186.5

[M+Na]+

367.22436

190.9

[M-H]-

343.22786

190.4

[M+NH4]+

362.26896

208.3

[M+K]+

383.19830

185.8

[M+H-H2O]+

327.23240

179.9

[M+HCOO]-

389.23334

195.9

[M+CH3COO]-

403.24899

214.4

[M+Na-2H]-

365.20981

185.2

[M]+

344.23459

181.8

[M]-

344.23569

181.8

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

Testosterone propionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe