CID 6470862

853319-17-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.094576	154.3
[M+Na]+	261.076518	161.5
[M-H]-	237.080024	159.4
[M+NH4]+	256.121123	173.0
[M+K]+	277.050458	157.0
[M+H-H2O]+	221.084560	147.3
[M+HCOO]-	283.085501	171.7
[M+CH3COO]-	297.101151	190.8
[M+Na-2H]-	259.061966	156.0
[M]+	238.08675142	153.1
[M]-	238.08784858	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.