PubChemLite - 10-hydroxymorphine (C17H19NO4)

Structural Information

Molecular Formula

SMILES

CN1CC[C@]23[C@@H]4[C@H]1[C@H](C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)O

InChI

InChI=1S/C17H19NO4/c1-18-7-6-17-9-3-5-11(20)16(17)22-15-10(19)4-2-8(12(15)17)14(21)13(9)18/h2-5,9,11,13-14,16,19-21H,6-7H2,1H3/t9-,11-,13-,14-,16-,17-/m0/s1

InChIKey

ISVKWTNAIRJURI-NGQSNTBFSA-N

Compound name

(4S,4aR,7S,7aR,12bS,13S)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9,13-triol

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	167.6
[M+Na]+	324.12062	179.2
[M+NH4]+	319.16522	178.0
[M+K]+	340.09456	173.5
[M-H]-	300.12412	169.9
[M+Na-2H]-	322.10607	167.5
[M]+	301.13085	170.0
[M]-	301.13195	170.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.13868

167.6

[M+Na]+

324.12062

179.2

[M+NH4]+

319.16522

178.0

[M+K]+

340.09456

173.5

[M-H]-

300.12412

169.9

[M+Na-2H]-

322.10607

167.5

[M]+

301.13085

170.0

[M]-

301.13195

170.0

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

10-hydroxymorphine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe