CID 79474

Propionylurea

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

CCC(=O)NC(=O)N

InChI

InChI=1S/C4H8N2O2/c1-2-3(7)6-4(5)8/h2H2,1H3,(H3,5,6,7,8)

InChIKey

KKACJTWOOFIGAD-UHFFFAOYSA-N

Compound name

N-carbamoylpropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 228
Patents: 116.05858 Da
Monoisotopic Mass: -0.2
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]+	117.065856	122.7
[M+Na]+	139.047798	129.2
[M-H]-	115.051304	122.9
[M+NH4]+	134.092403	144.3
[M+K]+	155.021738	129.7
[M+H-H2O]+	99.055840	117.6
[M+HCOO]-	161.056781	147.4
[M+CH3COO]-	175.072431	172.6
[M+Na-2H]-	137.033246	127.5
[M]+	116.05803142	120.5
[M]-	116.05912858	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe