CID 59391

102489-60-1

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)CN2CCCC2

InChI

InChI=1S/C13H17ClN2O/c1-10-5-4-6-11(14)13(10)15-12(17)9-16-7-2-3-8-16/h4-6H,2-3,7-9H2,1H3,(H,15,17)

InChIKey

DNINAKPWAHIOAZ-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 252.10294 Da
Monoisotopic Mass: 1.8
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]+	253.110216	158.6
[M+Na]+	275.092158	165.3
[M-H]-	251.095664	163.5
[M+NH4]+	270.136763	176.7
[M+K]+	291.066098	160.5
[M+H-H2O]+	235.100200	151.4
[M+HCOO]-	297.101141	175.7
[M+CH3COO]-	311.116791	194.4
[M+Na-2H]-	273.077606	159.8
[M]+	252.10239142	157.9
[M]-	252.10348858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe