PubChemLite - Trenbolone enanthate (C25H34O3)

Structural Information

Molecular Formula

SMILES

CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C

InChI

InChI=1S/C25H34O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h14-16,21-23H,3-13H2,1-2H3/t21-,22+,23+,25+/m1/s1

InChIKey

HGSFRISGULOJBX-FVEXOFTDSA-N

Compound name

[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] heptanoate

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]+	383.25808	197.8
[M+Na]+	405.24002	201.6
[M-H]-	381.24352	201.6
[M+NH4]+	400.28462	216.1
[M+K]+	421.21396	195.6
[M+H-H2O]+	365.24806	190.2
[M+HCOO]-	427.24900	209.2
[M+CH3COO]-	441.26465	222.7
[M+Na-2H]-	403.22547	195.7
[M]+	382.25025	196.5
[M]-	382.25135	196.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

383.25808

197.8

[M+Na]+

405.24002

201.6

[M-H]-

381.24352

201.6

[M+NH4]+

400.28462

216.1

[M+K]+

421.21396

195.6

[M+H-H2O]+

365.24806

190.2

[M+HCOO]-

427.24900

209.2

[M+CH3COO]-

441.26465

222.7

[M+Na-2H]-

403.22547

195.7

[M]+

382.25025

196.5

[M]-

382.25135

196.5

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

Trenbolone enanthate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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