CID 198555

N-demethyltramadol

Structural Information

Molecular Formula
C15H23NO2
SMILES
CNCC1CCCCC1(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3
InChIKey
VUMQHLSPUAFKKK-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

81
Patents

249.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 158.9
[M+Na]+ 272.16210 163.5
[M-H]- 248.16560 163.6
[M+NH4]+ 267.20670 177.0
[M+K]+ 288.13604 160.4
[M+H-H2O]+ 232.17014 152.1
[M+HCOO]- 294.17108 178.6
[M+CH3COO]- 308.18673 194.3
[M+Na-2H]- 270.14755 163.1
[M]+ 249.17233 155.5
[M]- 249.17343 155.5
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.