PubChemLite - 14-o-methyloxymorphone (C18H21NO4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1

InChIKey

FCIDDJPMOSRHJG-XFKAJCMBSA-N

Compound name

(4R,4aS,7aR,12bS)-9-hydroxy-4a-methoxy-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]+	316.15434	172.7
[M+Na]+	338.13628	184.0
[M+NH4]+	333.18088	184.7
[M+K]+	354.11022	175.7
[M-H]-	314.13978	175.3
[M+Na-2H]-	336.12173	174.1
[M]+	315.14651	175.4
[M]-	315.14761	175.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

316.15434

172.7

[M+Na]+

338.13628

184.0

[M+NH4]+

333.18088

184.7

[M+K]+

354.11022

175.7

[M-H]-

314.13978

175.3

[M+Na-2H]-

336.12173

174.1

[M]+

315.14651

175.4

[M]-

315.14761

175.4

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

14-o-methyloxymorphone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe