CID 135460304

2-amino-6-methyl-5-nitropyrimidin-4-ol

Structural Information

Molecular Formula
C5H6N4O3
SMILES
CC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]
InChI
InChI=1S/C5H6N4O3/c1-2-3(9(11)12)4(10)8-5(6)7-2/h1H3,(H3,6,7,8,10)
InChIKey
PFTYCGMGNJVFIX-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-5-nitro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

170.04399 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.051266 128.7
[M+Na]+ 193.033208 138.3
[M-H]- 169.036714 129.2
[M+NH4]+ 188.077813 144.9
[M+K]+ 209.007148 131.7
[M+H-H2O]+ 153.041250 126.6
[M+HCOO]- 215.042191 152.4
[M+CH3COO]- 229.057841 171.8
[M+Na-2H]- 191.018656 137.3
[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