CID 130829

O-demethyltramadol

Structural Information

Molecular Formula
C15H23NO2
SMILES
CN(C)CC1CCCCC1(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
InChIKey
UWJUQVWARXYRCG-UHFFFAOYSA-N
Compound name
3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

170
References

911
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 159.7
[M+Na]+ 272.16210 170.5
[M+NH4]+ 267.20670 169.4
[M+K]+ 288.13604 162.3
[M-H]- 248.16560 163.8
[M+Na-2H]- 270.14755 167.4
[M]+ 249.17233 162.4
[M]- 249.17343 162.4
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