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

1035
Patents

249.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.2
[M+Na]+ 272.16210 163.5
[M-H]- 248.16560 164.0
[M+NH4]+ 267.20670 177.3
[M+K]+ 288.13604 161.1
[M+H-H2O]+ 232.17014 152.7
[M+HCOO]- 294.17108 177.9
[M+CH3COO]- 308.18673 195.2
[M+Na-2H]- 270.14755 162.2
[M]+ 249.17233 155.2
[M]- 249.17343 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.