CID 63642220

6-(prop-2-enamido)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C=CC(=O)NC1=CC=CC(=N1)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-2-8(12)11-7-5-3-4-6(10-7)9(13)14/h2-5H,1H2,(H,13,14)(H,10,11,12)
InChIKey
KMMLXTIZASPDKN-UHFFFAOYSA-N
Compound name
6-(prop-2-enoylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 138.9
[M+Na]+ 215.042718 146.2
[M-H]- 191.046224 140.1
[M+NH4]+ 210.087323 155.9
[M+K]+ 231.016658 143.9
[M+H-H2O]+ 175.050760 132.2
[M+HCOO]- 237.051701 161.0
[M+CH3COO]- 251.067351 182.0
[M+Na-2H]- 213.028166 143.8
[M]+ 192.05295142 137.9
[M]- 192.05404858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe