CID 17789889

1211579-10-0

Structural Information

Molecular Formula
C8H7NO2
SMILES
C=CC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H7NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h2-5H,1H2,(H,10,11)
InChIKey
HCAXAGYQQYQNTF-UHFFFAOYSA-N
Compound name
6-ethenylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

149.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 127.8
[M+Na]+ 172.036898 136.5
[M-H]- 148.040404 129.1
[M+NH4]+ 167.081503 147.1
[M+K]+ 188.010838 134.1
[M+H-H2O]+ 132.044940 121.9
[M+HCOO]- 194.045881 149.8
[M+CH3COO]- 208.061531 172.5
[M+Na-2H]- 170.022346 134.3
[M]+ 149.04713142 127.2
[M]- 149.04822858 127.2
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