CID 2402156

4791-22-4

Structural Information

Molecular Formula

C₄H₇ClN₂O₂

SMILES

CNC(=O)NC(=O)CCl

InChI

InChI=1S/C4H7ClN2O2/c1-6-4(9)7-3(8)2-5/h2H2,1H3,(H2,6,7,8,9)

InChIKey

HZVMNAXEPPKXLS-UHFFFAOYSA-N

Compound name

2-chloro-N-(methylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 150.0196 Da
Monoisotopic Mass: -0.1
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]+	151.02688	128.6
[M+Na]+	173.00882	135.9
[M-H]-	149.01232	129.2
[M+NH4]+	168.05342	150.1
[M+K]+	188.98276	134.6
[M+H-H2O]+	133.01686	124.6
[M+HCOO]-	195.01780	149.5
[M+CH3COO]-	209.03345	176.5
[M+Na-2H]-	170.99427	134.0
[M]+	150.01905	129.2
[M]-	150.02015	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe