CID 853765

1-(n-(3-chloro-4-methylphenyl)carbamoyl)piperidine

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCCCC2)Cl
InChI
InChI=1S/C13H17ClN2O/c1-10-5-6-11(9-12(10)14)15-13(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKey
UUJPQUURGSOBTQ-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 157.5
[M+Na]+ 275.09216 163.4
[M-H]- 251.09566 162.0
[M+NH4]+ 270.13676 173.7
[M+K]+ 291.06610 158.7
[M+H-H2O]+ 235.10020 150.1
[M+HCOO]- 297.10114 172.5
[M+CH3COO]- 311.11679 194.3
[M+Na-2H]- 273.07761 160.3
[M]+ 252.10239 154.6
[M]- 252.10349 154.6
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.