CID 68956

Acetylurea

Structural Information

Molecular Formula

C₃H₆N₂O₂

SMILES

CC(=O)NC(=O)N

InChI

InChI=1S/C3H6N2O2/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)

InChIKey

GKRZNOGGALENQJ-UHFFFAOYSA-N

Compound name

N-carbamoylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 16
References: 1636
Patents: 102.04293 Da
Monoisotopic Mass: -0.7
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]+	103.050206	118.1
[M+Na]+	125.032148	125.0
[M-H]-	101.035654	118.5
[M+NH4]+	120.076753	140.2
[M+K]+	141.006088	125.8
[M+H-H2O]+	85.040190	113.2
[M+HCOO]-	147.041131	143.1
[M+CH3COO]-	161.056781	169.6
[M+Na-2H]-	123.017596	123.4
[M]+	102.04238142	115.5
[M]-	102.04347858	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe