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

9
Annotation Hits: 5180
References: 65543
Patents: 263.18854 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.19582	163.2
[M+Na]+	286.17776	167.5
[M-H]-	262.18126	169.2
[M+NH4]+	281.22236	181.4
[M+K]+	302.15170	165.7
[M+H-H2O]+	246.18580	156.1
[M+HCOO]-	308.18674	183.1
[M+CH3COO]-	322.20239	200.7
[M+Na-2H]-	284.16321	166.1
[M]+	263.18799	161.4
[M]-	263.18909	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe