CID 578841

6-nitropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H4N2O4
SMILES
C1=CC(=NC(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C6H4N2O4/c9-6(10)4-2-1-3-5(7-4)8(11)12/h1-3H,(H,9,10)
InChIKey
MIHFOFLNJIPDRY-UHFFFAOYSA-N
Compound name
6-nitropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

168.0171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02438 128.6
[M+Na]+ 191.00632 141.1
[M+NH4]+ 186.05092 135.3
[M+K]+ 206.98026 139.8
[M-H]- 167.00982 129.7
[M+Na-2H]- 188.99177 134.3
[M]+ 168.01655 130.3
[M]- 168.01765 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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