CID 9838803

O-desmethyltramadol

Structural Information

Molecular Formula
C15H23NO2
SMILES
CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O
InChI
InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
InChIKey
UWJUQVWARXYRCG-HIFRSBDPSA-N
Compound name
3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

172
References

1045
Patents

249.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 159.2
[M+Na]+ 272.162098 163.5
[M-H]- 248.165604 164.0
[M+NH4]+ 267.206703 177.3
[M+K]+ 288.136038 161.1
[M+H-H2O]+ 232.170140 152.7
[M+HCOO]- 294.171081 177.9
[M+CH3COO]- 308.186731 195.2
[M+Na-2H]- 270.147546 162.2
[M]+ 249.17233142 155.2
[M]- 249.17342858 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe