CID 736782

4-pyridineacrylic acid

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CN=CC=C1/C=C/C(=O)O
InChI
InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+
InChIKey
SSAYTINUCCRGDR-OWOJBTEDSA-N
Compound name
(E)-3-pyridin-4-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

770
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

literature stripe

Patent stripe

patents stripe