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

145
Patents

193.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 136.8
[M+Na]+ 216.02672 144.8
[M-H]- 192.03022 138.0
[M+NH4]+ 211.07132 153.9
[M+K]+ 232.00066 143.2
[M+H-H2O]+ 176.03476 130.4
[M+HCOO]- 238.03570 158.1
[M+CH3COO]- 252.05135 179.8
[M+Na-2H]- 214.01217 141.5
[M]+ 193.03695 138.1
[M]- 193.03805 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