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]+ 193.06078 138.9
[M+Na]+ 215.04272 146.2
[M-H]- 191.04622 140.1
[M+NH4]+ 210.08732 155.9
[M+K]+ 231.01666 143.9
[M+H-H2O]+ 175.05076 132.2
[M+HCOO]- 237.05170 161.0
[M+CH3COO]- 251.06735 182.0
[M+Na-2H]- 213.02817 143.8
[M]+ 192.05295 137.9
[M]- 192.05405 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.