CID 17774328

6-ethynylpyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

147.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.039306 129.1
[M+Na]+ 170.021248 139.7
[M-H]- 146.024754 128.9
[M+NH4]+ 165.065853 146.1
[M+K]+ 185.995188 136.3
[M+H-H2O]+ 130.029290 117.1
[M+HCOO]- 192.030231 145.2
[M+CH3COO]- 206.045881 180.9
[M+Na-2H]- 168.006696 134.3
[M]+ 147.03148142 123.0
[M]- 147.03257858 123.0
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