CID 5511

Tolperisone

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
InChI
InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
InChIKey
FSKFPVLPFLJRQB-UHFFFAOYSA-N
Compound name
2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

204
References

3822
Patents

245.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 160.0
[M+Na]+ 268.16718 163.2
[M-H]- 244.17068 163.9
[M+NH4]+ 263.21178 175.4
[M+K]+ 284.14112 160.3
[M+H-H2O]+ 228.17522 151.6
[M+HCOO]- 290.17616 176.4
[M+CH3COO]- 304.19181 195.7
[M+Na-2H]- 266.15263 160.9
[M]+ 245.17741 155.8
[M]- 245.17851 155.8
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

No patent data available for this compound.