PubChemLite - Nandrolone acetate (C20H28O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

TTWYUPSVWLOIRF-XGXHKTLJSA-N

Compound name

[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

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]+	317.21114	177.4
[M+Na]+	339.19308	181.5
[M-H]-	315.19658	181.5
[M+NH4]+	334.23768	198.4
[M+K]+	355.16702	176.9
[M+H-H2O]+	299.20112	171.0
[M+HCOO]-	361.20206	187.6
[M+CH3COO]-	375.21771	208.9
[M+Na-2H]-	337.17853	176.1
[M]+	316.20331	171.7
[M]-	316.20441	171.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

317.21114

177.4

[M+Na]+

339.19308

181.5

[M-H]-

315.19658

181.5

[M+NH4]+

334.23768

198.4

[M+K]+

355.16702

176.9

[M+H-H2O]+

299.20112

171.0

[M+HCOO]-

361.20206

187.6

[M+CH3COO]-

375.21771

208.9

[M+Na-2H]-

337.17853

176.1

[M]+

316.20331

171.7

[M]-

316.20441

171.7

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

Nandrolone acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe