Oxymorphone (C17H19NO4)

Structural Information

Molecular Formula

SMILES

CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O

InChI

InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1

InChIKey

UQCNKQCJZOAFTQ-ISWURRPUSA-N

Compound name

(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-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]+	302.13868	166.7
[M+Na]+	324.12062	174.4
[M-H]-	300.12412	168.9
[M+NH4]+	319.16522	187.7
[M+K]+	340.09456	170.3
[M+H-H2O]+	284.12866	159.2
[M+HCOO]-	346.12960	174.2
[M+CH3COO]-	360.14525	176.5
[M+Na-2H]-	322.10607	171.8
[M]+	301.13085	165.3
[M]-	301.13195	165.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.13868

166.7

[M+Na]+

324.12062

174.4

[M-H]-

300.12412

168.9

[M+NH4]+

319.16522

187.7

[M+K]+

340.09456

170.3

[M+H-H2O]+

284.12866

159.2

[M+HCOO]-

346.12960

174.2

[M+CH3COO]-

360.14525

176.5

[M+Na-2H]-

322.10607

171.8

[M]+

301.13085

165.3

[M]-

301.13195

165.3

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

Oxymorphone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe