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]+ 262.18016 163.3
[M+Na]+ 284.16210 167.0
[M-H]- 260.16560 166.2
[M+NH4]+ 279.20670 177.6
[M+K]+ 300.13604 163.8
[M+H-H2O]+ 244.17014 155.3
[M+HCOO]- 306.17108 178.4
[M+CH3COO]- 320.18673 196.4
[M+Na-2H]- 282.14755 163.0
[M]+ 261.17233 159.1
[M]- 261.17343 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

No literature data available for this compound.

Patent stripe

patents stripe