CID 5150651

24224-16-6

Structural Information

Molecular Formula

C₄H₇ClN₂O₂

SMILES

CC(C(=O)NC(=O)N)Cl

InChI

InChI=1S/C4H7ClN2O2/c1-2(5)3(8)7-4(6)9/h2H,1H3,(H3,6,7,8,9)

InChIKey

RKAQGNOHJPPSED-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-chloropropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 150.0196 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]+	151.026876	128.9
[M+Na]+	173.008818	136.0
[M-H]-	149.012324	129.2
[M+NH4]+	168.053423	150.0
[M+K]+	188.982758	134.8
[M+H-H2O]+	133.016860	125.1
[M+HCOO]-	195.017801	148.3
[M+CH3COO]-	209.033451	177.5
[M+Na-2H]-	170.994266	132.1
[M]+	150.01905142	128.0
[M]-	150.02014858	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe