CID 776396

19337-97-4

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC(=CN=C1)/C=C/C(=O)O
InChI
InChI=1S/C8H7NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-6H,(H,10,11)/b4-3+
InChIKey
VUVORVXMOLQFMO-ONEGZZNKSA-N
Compound name
(E)-3-pyridin-3-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

1647
Patents

149.04768 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 128.7
[M+Na]+ 172.036898 136.5
[M-H]- 148.040404 129.6
[M+NH4]+ 167.081503 147.7
[M+K]+ 188.010838 134.1
[M+H-H2O]+ 132.044940 122.5
[M+HCOO]- 194.045881 150.7
[M+CH3COO]- 208.061531 170.7
[M+Na-2H]- 170.022346 135.8
[M]+ 149.04713142 127.6
[M]- 149.04822858 127.6
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.