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]+ 171.05127 128.1
[M+Na]+ 193.03321 136.7
[M-H]- 169.03671 128.8
[M+NH4]+ 188.07781 144.3
[M+K]+ 209.00715 130.5
[M+H-H2O]+ 153.04125 125.8
[M+HCOO]- 215.04219 152.5
[M+CH3COO]- 229.05784 171.3
[M+Na-2H]- 191.01866 138.5
[M]+ 170.04344 125.1
[M]- 170.04454 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