PubChemLite - Norcodeine (C17H19NO3)

Structural Information

Molecular Formula

SMILES

COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)C=C1

InChI

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

InChIKey

HKOIXWVRNLGFOR-KOFBORESSA-N

Compound name

(4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

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	163.1
[M+Na]+	308.12572	169.6
[M-H]-	284.12922	165.1
[M+NH4]+	303.17032	182.7
[M+K]+	324.09966	165.2
[M+H-H2O]+	268.13376	155.3
[M+HCOO]-	330.13470	172.0
[M+CH3COO]-	344.15035	172.8
[M+Na-2H]-	306.11117	168.4
[M]+	285.13595	161.4
[M]-	285.13705	161.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

286.14378

163.1

[M+Na]+

308.12572

169.6

[M-H]-

284.12922

165.1

[M+NH4]+

303.17032

182.7

[M+K]+

324.09966

165.2

[M+H-H2O]+

268.13376

155.3

[M+HCOO]-

330.13470

172.0

[M+CH3COO]-

344.15035

172.8

[M+Na-2H]-

306.11117

168.4

[M]+

285.13595

161.4

[M]-

285.13705

161.4

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

Norcodeine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe