CID 2735205

212755-81-2

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC(=NC=C1C(=O)O)C(C=O)C=O
InChI
InChI=1S/C9H7NO4/c11-4-7(5-12)8-2-1-6(3-10-8)9(13)14/h1-5,7H,(H,13,14)
InChIKey
ASEYNVDFAPPYDR-UHFFFAOYSA-N
Compound name
6-(1,3-dioxopropan-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

193.0375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 139.0
[M+Na]+ 216.02672 150.0
[M+NH4]+ 211.07132 144.6
[M+K]+ 232.00066 146.2
[M-H]- 192.03022 137.8
[M+Na-2H]- 214.01217 143.5
[M]+ 193.03695 139.8
[M]- 193.03805 139.8
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