CID 10377983

Tolperisone metabolite m1'

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1=C(C=C(C=C1)C(=O)C(C)CN2CCCCC2)O
InChI
InChI=1S/C16H23NO2/c1-12-6-7-14(10-15(12)18)16(19)13(2)11-17-8-4-3-5-9-17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3
InChIKey
DPTIOTYHVFZYFS-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-4-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

261.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 163.3
[M+Na]+ 284.162098 167.0
[M-H]- 260.165604 166.2
[M+NH4]+ 279.206703 177.6
[M+K]+ 300.136038 163.8
[M+H-H2O]+ 244.170140 155.3
[M+HCOO]- 306.171081 178.4
[M+CH3COO]- 320.186731 196.4
[M+Na-2H]- 282.147546 163.0
[M]+ 261.17233142 159.1
[M]- 261.17342858 159.1
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