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

6586
Patents

118.04907 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05635 120.5
[M+Na]+ 141.03829 126.2
[M-H]- 117.04179 120.4
[M+NH4]+ 136.08289 140.9
[M+K]+ 157.01223 126.9
[M+H-H2O]+ 101.04633 114.5
[M+HCOO]- 163.04727 147.1
[M+CH3COO]- 177.06292 176.0
[M+Na-2H]- 139.02374 125.6
[M]+ 118.04852 114.8
[M]- 118.04962 114.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.