PubChemLite - Nandrolone propionate (C21H30O3)

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@H]34)C

InChI

InChI=1S/C21H30O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h12,15-19H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,21-/m0/s1

InChIKey

LGRKCTFWUWAKON-RRFJAZBJSA-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] 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]+	331.22676	182.0
[M+Na]+	353.20870	185.6
[M-H]-	329.21220	185.8
[M+NH4]+	348.25330	202.3
[M+K]+	369.18264	180.7
[M+H-H2O]+	313.21674	175.4
[M+HCOO]-	375.21768	191.8
[M+CH3COO]-	389.23333	211.8
[M+Na-2H]-	351.19415	180.2
[M]+	330.21893	176.5
[M]-	330.22003	176.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

331.22676

182.0

[M+Na]+

353.20870

185.6

[M-H]-

329.21220

185.8

[M+NH4]+

348.25330

202.3

[M+K]+

369.18264

180.7

[M+H-H2O]+

313.21674

175.4

[M+HCOO]-

375.21768

191.8

[M+CH3COO]-

389.23333

211.8

[M+Na-2H]-

351.19415

180.2

[M]+

330.21893

176.5

[M]-

330.22003

176.5

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

Nandrolone propionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe