CID 26311

N-nitroso-n-methylbiuret

Structural Information

Molecular Formula
C3H6N4O3
SMILES
CN(C(=O)NC(=O)N)N=O
InChI
InChI=1S/C3H6N4O3/c1-7(6-10)3(9)5-2(4)8/h1H3,(H3,4,5,8,9)
InChIKey
YBODEWRZWWTHPL-UHFFFAOYSA-N
Compound name
3-carbamoyl-1-methyl-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

40
Patents

146.04399 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05127 126.1
[M+Na]+ 169.03321 132.1
[M-H]- 145.03671 129.2
[M+NH4]+ 164.07781 146.9
[M+K]+ 185.00715 135.1
[M+H-H2O]+ 129.04125 119.4
[M+HCOO]- 191.04219 155.5
[M+CH3COO]- 205.05784 186.6
[M+Na-2H]- 167.01866 131.7
[M]+ 146.04344 125.6
[M]- 146.04454 125.6
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.