CID 16226925

N-(1-benzylpyrrolidin-3-yl)-2-chloroacetamide hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O

SMILES

C1CN(CC1NC(=O)CCl)CC2=CC=CC=C2

InChI

InChI=1S/C13H17ClN2O/c14-8-13(17)15-12-6-7-16(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)

InChIKey

HPBWRCHTSALJTF-UHFFFAOYSA-N

Compound name

N-(1-benzylpyrrolidin-3-yl)-2-chloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.10294 Da
Monoisotopic Mass: 1.9
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	158.7
[M+Na]+	275.092158	164.4
[M-H]-	251.095664	163.1
[M+NH4]+	270.136763	176.3
[M+K]+	291.066098	159.6
[M+H-H2O]+	235.100200	151.1
[M+HCOO]-	297.101141	175.7
[M+CH3COO]-	311.116791	193.3
[M+Na-2H]-	273.077606	160.5
[M]+	252.10239142	157.5
[M]-	252.10348858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.