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

4
Annotation Hits: 11
References: 4623
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]+	119.05635	121.8
[M+Na]+	141.03829	126.8
[M+NH4]+	136.08289	127.3
[M+K]+	157.01223	125.4
[M-H]-	117.04179	121.0
[M+Na-2H]-	139.02374	123.6
[M]+	118.04852	121.3
[M]-	118.04962	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe