CID 18007630

5-ethynylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H5NO2
SMILES
C#CC1=CC(=CN=C1)C(=O)O
InChI
InChI=1S/C8H5NO2/c1-2-6-3-7(8(10)11)5-9-4-6/h1,3-5H,(H,10,11)
InChIKey
GXDWHRUZQQCVCV-UHFFFAOYSA-N
Compound name
5-ethynylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

147.03203 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03931 129.5
[M+Na]+ 170.02125 141.8
[M+NH4]+ 165.06585 133.5
[M+K]+ 185.99519 133.7
[M-H]- 146.02475 122.1
[M+Na-2H]- 168.00670 132.9
[M]+ 147.03148 128.2
[M]- 147.03258 128.2
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