CID 33741

Tramadol

Structural Information

Molecular Formula
C16H25NO2
SMILES
CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
InChIKey
TVYLLZQTGLZFBW-ZBFHGGJFSA-N
Compound name
(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

5160
References

63255
Patents

263.18854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 163.8
[M+Na]+ 286.17776 174.9
[M+NH4]+ 281.22236 173.7
[M+K]+ 302.15170 166.3
[M-H]- 262.18126 168.4
[M+Na-2H]- 284.16321 171.9
[M]+ 263.18799 166.8
[M]- 263.18909 166.8
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