PubChemLite - Ethyltestosterone (C21H32O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

InChIKey

FGPGANCDNDLUST-CEGNMAFCSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

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]+	317.24751	180.2
[M+Na]+	339.22945	186.1
[M-H]-	315.23295	183.4
[M+NH4]+	334.27405	204.8
[M+K]+	355.20339	179.8
[M+H-H2O]+	299.23749	173.9
[M+HCOO]-	361.23843	189.2
[M+CH3COO]-	375.25408	189.2
[M+Na-2H]-	337.21490	181.0
[M]+	316.23968	173.9
[M]-	316.24078	173.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

317.24751

180.2

[M+Na]+

339.22945

186.1

[M-H]-

315.23295

183.4

[M+NH4]+

334.27405

204.8

[M+K]+

355.20339

179.8

[M+H-H2O]+

299.23749

173.9

[M+HCOO]-

361.23843

189.2

[M+CH3COO]-

375.25408

189.2

[M+Na-2H]-

337.21490

181.0

[M]+

316.23968

173.9

[M]-

316.24078

173.9

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

Ethyltestosterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe