CID 54685619

4-hydroxy-6-methyl-3-nitro-2-pyridone

Structural Information

Molecular Formula
C6H6N2O4
SMILES
CC1=CC(=C(C(=O)N1)[N+](=O)[O-])O
InChI
InChI=1S/C6H6N2O4/c1-3-2-4(9)5(8(11)12)6(10)7-3/h2H,1H3,(H2,7,9,10)
InChIKey
QIKWTNPFTOEELW-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

254
Patents

170.03276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.040036 128.0
[M+Na]+ 193.021978 137.6
[M-H]- 169.025484 129.0
[M+NH4]+ 188.066583 145.5
[M+K]+ 208.995918 131.1
[M+H-H2O]+ 153.030020 127.2
[M+HCOO]- 215.030961 151.1
[M+CH3COO]- 229.046611 167.2
[M+Na-2H]- 191.007426 136.2
[M]+ 170.03221142 125.8
[M]- 170.03330858 125.8
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