CID 2735204

6-(1,3-dioxopropan-2-yl)picolinic acid

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC(=NC(=C1)C(=O)O)C(C=O)C=O
InChI
InChI=1S/C9H7NO4/c11-4-6(5-12)7-2-1-3-8(10-7)9(13)14/h1-6H,(H,13,14)
InChIKey
WVLIQUPRRVSTGK-UHFFFAOYSA-N
Compound name
6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

193.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 136.8
[M+Na]+ 216.026718 144.8
[M-H]- 192.030224 138.0
[M+NH4]+ 211.071323 153.9
[M+K]+ 232.000658 143.2
[M+H-H2O]+ 176.034760 130.4
[M+HCOO]- 238.035701 158.1
[M+CH3COO]- 252.051351 179.8
[M+Na-2H]- 214.012166 141.5
[M]+ 193.03695142 138.1
[M]- 193.03804858 138.1
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