CID 222357

2-chloro-n-propylacetamide

Structural Information

Molecular Formula

C₅H₁₀ClNO

SMILES

CCCNC(=O)CCl

InChI

InChI=1S/C5H10ClNO/c1-2-3-7-5(8)4-6/h2-4H2,1H3,(H,7,8)

InChIKey

SHWUYQDIJUWTPM-UHFFFAOYSA-N

Compound name

2-chloro-N-propylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
Patents: 135.04509 Da
Monoisotopic Mass: 1.1
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	126.6
[M+Na]+	158.034308	134.2
[M-H]-	134.037814	126.9
[M+NH4]+	153.078913	149.1
[M+K]+	174.008248	132.3
[M+H-H2O]+	118.042350	123.0
[M+HCOO]-	180.043291	146.6
[M+CH3COO]-	194.058941	174.0
[M+Na-2H]-	156.019756	132.7
[M]+	135.04454142	128.4
[M]-	135.04563858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe