CID 8039

Biurea

Structural Information

Molecular Formula

C₂H₆N₄O₂

SMILES

C(=O)(N)NNC(=O)N

InChI

InChI=1S/C2H6N4O2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)

InChIKey

ULUZGMIUTMRARO-UHFFFAOYSA-N

Compound name

(carbamoylamino)urea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11
References: 6627
Patents: 118.04907 Da
Monoisotopic Mass: -2.1
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]+	119.056346	120.5
[M+Na]+	141.038288	126.2
[M-H]-	117.041794	120.4
[M+NH4]+	136.082893	140.9
[M+K]+	157.012228	126.9
[M+H-H2O]+	101.046330	114.5
[M+HCOO]-	163.047271	147.1
[M+CH3COO]-	177.062921	176.0
[M+Na-2H]-	139.023736	125.6
[M]+	118.04852142	114.8
[M]-	118.04961858	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe