PubChemLite - Trenbolone cyclohexylmethylcarbonate (C26H34O4)

Structural Information

Molecular Formula

SMILES

C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5

InChI

InChI=1S/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3/t22-,23+,24+,26+/m1/s1

InChIKey

GQJSFWYQKNQCIK-APFRJGHOSA-N

Compound name

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

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]+	411.25298	202.1
[M+Na]+	433.23492	203.4
[M-H]-	409.23842	208.0
[M+NH4]+	428.27952	218.1
[M+K]+	449.20886	198.1
[M+H-H2O]+	393.24296	192.9
[M+HCOO]-	455.24390	210.1
[M+CH3COO]-	469.25955	208.4
[M+Na-2H]-	431.22037	198.6
[M]+	410.24515	195.4
[M]-	410.24625	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.25298

202.1

[M+Na]+

433.23492

203.4

[M-H]-

409.23842

208.0

[M+NH4]+

428.27952

218.1

[M+K]+

449.20886

198.1

[M+H-H2O]+

393.24296

192.9

[M+HCOO]-

455.24390

210.1

[M+CH3COO]-

469.25955

208.4

[M+Na-2H]-

431.22037

198.6

[M]+

410.24515

195.4

[M]-

410.24625

195.4

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

Trenbolone cyclohexylmethylcarbonate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe