CID 23456154

3-methoxy-5-nitropyridin-2-ol

Structural Information

Molecular Formula
C6H6N2O4
SMILES
COC1=CC(=CNC1=O)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O4/c1-12-5-2-4(8(10)11)3-7-6(5)9/h2-3H,1H3,(H,7,9)
InChIKey
JDHPYWKDVDFUDW-UHFFFAOYSA-N
Compound name
3-methoxy-5-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

170.03276 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04004 128.2
[M+Na]+ 193.02198 137.3
[M-H]- 169.02548 130.2
[M+NH4]+ 188.06658 146.1
[M+K]+ 208.99592 131.7
[M+H-H2O]+ 153.03002 126.9
[M+HCOO]- 215.03096 152.8
[M+CH3COO]- 229.04661 168.8
[M+Na-2H]- 191.00743 137.5
[M]+ 170.03221 127.4
[M]- 170.03331 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