CID 26311

Methylnitrosobiuret

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

24
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

literature stripe

Patent stripe

patents stripe