CID 61320440

6-(prop-2-enamido)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C=CC(=O)NC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-2-8(12)11-7-4-3-6(5-10-7)9(13)14/h2-5H,1H2,(H,13,14)(H,10,11,12)
InChIKey
DMGMCHVHBOINRJ-UHFFFAOYSA-N
Compound name
6-(prop-2-enoylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.