Hydromorphone (C17H19NO3)

Structural Information

Molecular Formula

SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4

InChI

InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1

InChIKey

WVLOADHCBXTIJK-YNHQPCIGSA-N

Compound name

(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-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]+	286.14378	163.5
[M+Na]+	308.12572	170.5
[M-H]-	284.12922	166.7
[M+NH4]+	303.17032	183.8
[M+K]+	324.09966	166.4
[M+H-H2O]+	268.13376	155.7
[M+HCOO]-	330.13470	172.5
[M+CH3COO]-	344.15035	173.6
[M+Na-2H]-	306.11117	167.5
[M]+	285.13595	161.7
[M]-	285.13705	161.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

286.14378

163.5

[M+Na]+

308.12572

170.5

[M-H]-

284.12922

166.7

[M+NH4]+

303.17032

183.8

[M+K]+

324.09966

166.4

[M+H-H2O]+

268.13376

155.7

[M+HCOO]-

330.13470

172.5

[M+CH3COO]-

344.15035

173.6

[M+Na-2H]-

306.11117

167.5

[M]+

285.13595

161.7

[M]-

285.13705

161.7

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

Hydromorphone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe