CID 6470862

N-(3-chloro-4-methylphenyl)-1-pyrrolidinecarboxamide

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCCC2)Cl
InChI
InChI=1S/C12H15ClN2O/c1-9-4-5-10(8-11(9)13)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKey
WGTDAEFTOHMJOY-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

238.0873 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 154.3
[M+Na]+ 261.07652 161.5
[M-H]- 237.08002 159.4
[M+NH4]+ 256.12112 173.0
[M+K]+ 277.05046 157.0
[M+H-H2O]+ 221.08456 147.3
[M+HCOO]- 283.08550 171.7
[M+CH3COO]- 297.10115 190.8
[M+Na-2H]- 259.06197 156.0
[M]+ 238.08675 153.1
[M]- 238.08785 153.1
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

No patent data available for this compound.