CID 135424258

25710-32-1

Structural Information

Molecular Formula
C5H6N4O3
SMILES
CNC1=C(C(=O)NC=N1)[N+](=O)[O-]
InChI
InChI=1S/C5H6N4O3/c1-6-4-3(9(11)12)5(10)8-2-7-4/h2H,1H3,(H2,6,7,8,10)
InChIKey
XSUMVHAKMGCFBA-UHFFFAOYSA-N
Compound name
4-(methylamino)-5-nitro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.04399 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe