CID 5150651

(2-chloro-propionyl)-urea

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: 7
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]+	151.02688	128.9
[M+Na]+	173.00882	136.0
[M-H]-	149.01232	129.2
[M+NH4]+	168.05342	150.0
[M+K]+	188.98276	134.8
[M+H-H2O]+	133.01686	125.1
[M+HCOO]-	195.01780	148.3
[M+CH3COO]-	209.03345	177.5
[M+Na-2H]-	170.99427	132.1
[M]+	150.01905	128.0
[M]-	150.02015	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe