CID 9861699

Tramadol n-oxide

Structural Information

Molecular Formula
C16H25NO3
SMILES
C[N+](C)(C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O)[O-]
InChI
InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
InChIKey
HBXKSXMNNGHBEA-ZBFHGGJFSA-N
Compound name
1-[(1R,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

188
Patents

279.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 164.6
[M+Na]+ 302.17266 168.5
[M-H]- 278.17616 169.2
[M+NH4]+ 297.21726 181.3
[M+K]+ 318.14660 161.4
[M+H-H2O]+ 262.18070 163.0
[M+HCOO]- 324.18164 182.9
[M+CH3COO]- 338.19729 192.2
[M+Na-2H]- 300.15811 171.4
[M]+ 279.18289 160.2
[M]- 279.18399 160.2
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