CID 80601

2-chloro-n-(2-hydroxyethyl)acetamide

Structural Information

Molecular Formula

C₄H₈ClNO₂

SMILES

C(CO)NC(=O)CCl

InChI

InChI=1S/C4H8ClNO2/c5-3-4(8)6-1-2-7/h7H,1-3H2,(H,6,8)

InChIKey

YMURLKIIDQPXRE-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-hydroxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 73
Patents: 137.02435 Da
Monoisotopic Mass: -0.5
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]+	138.031626	125.0
[M+Na]+	160.013568	132.6
[M-H]-	136.017074	124.1
[M+NH4]+	155.058173	146.7
[M+K]+	175.987508	130.5
[M+H-H2O]+	120.021610	121.7
[M+HCOO]-	182.022551	144.2
[M+CH3COO]-	196.038201	170.3
[M+Na-2H]-	157.999016	131.1
[M]+	137.02380142	126.0
[M]-	137.02489858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe