CID 63391485

N-(2-chloroethyl)-n-methylacetamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CC(=O)N(C)CCCl

InChI

InChI=1S/C5H10ClNO/c1-5(8)7(2)4-3-6/h3-4H2,1-2H3

InChIKey

GSDHXIYEJRUVTM-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 135.04509 Da
Monoisotopic Mass: 0.3
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]+	136.052366	126.0
[M+Na]+	158.034308	133.9
[M-H]-	134.037814	127.9
[M+NH4]+	153.078913	149.2
[M+K]+	174.008248	133.4
[M+H-H2O]+	118.042350	122.3
[M+HCOO]-	180.043291	146.6
[M+CH3COO]-	194.058941	177.6
[M+Na-2H]-	156.019756	131.4
[M]+	135.04454142	129.2
[M]-	135.04563858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe