CID 26370134

2-hydroxy-4-methoxy-5-nitropyridine

Structural Information

Molecular Formula
C6H6N2O4
SMILES
COC1=CC(=O)NC=C1[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O4/c1-12-5-2-6(9)7-3-4(5)8(10)11/h2-3H,1H3,(H,7,9)
InChIKey
BBXOGUKAXIFZAE-UHFFFAOYSA-N
Compound name
4-methoxy-5-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

170.03276 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.040036 128.2
[M+Na]+ 193.021978 137.3
[M-H]- 169.025484 130.2
[M+NH4]+ 188.066583 146.1
[M+K]+ 208.995918 131.7
[M+H-H2O]+ 153.030020 126.9
[M+HCOO]- 215.030961 152.8
[M+CH3COO]- 229.046611 168.8
[M+Na-2H]- 191.007426 137.5
[M]+ 170.03221142 127.4
[M]- 170.03330858 127.4
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