CID 108111034

1695322-38-3

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC(=O)NC(=C1)C#CC(=O)O
InChI
InChI=1S/C8H5NO3/c10-7-3-1-2-6(9-7)4-5-8(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey
YWOIEJGISNOKBR-UHFFFAOYSA-N
Compound name
3-(6-oxo-1H-pyridin-2-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.02695 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 133.6
[M+Na]+ 186.01617 145.0
[M+NH4]+ 181.06077 136.5
[M+K]+ 201.99011 137.4
[M-H]- 162.01967 124.9
[M+Na-2H]- 184.00162 135.7
[M]+ 163.02640 131.6
[M]- 163.02750 131.6
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.