CID 135428283

53736-37-1

Structural Information

Molecular Formula
C5H6N4O3
SMILES
CC1=CC(=O)NC(=N1)N[N+](=O)[O-]
InChI
InChI=1S/C5H6N4O3/c1-3-2-4(10)7-5(6-3)8-9(11)12/h2H,1H3,(H2,6,7,8,10)
InChIKey
RVLQUZZFJPNSFR-UHFFFAOYSA-N
Compound name
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

170.04399 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.051266 128.1
[M+Na]+ 193.033208 136.7
[M-H]- 169.036714 128.8
[M+NH4]+ 188.077813 144.3
[M+K]+ 209.007148 130.5
[M+H-H2O]+ 153.041250 125.8
[M+HCOO]- 215.042191 152.5
[M+CH3COO]- 229.057841 171.3
[M+Na-2H]- 191.018656 138.5
[M]+ 170.04344142 125.1
[M]- 170.04453858 125.1
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