CID 95303

Dtxsid301302309

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CN=CC=C1C=CC(=O)O
InChI
InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)
InChIKey
SSAYTINUCCRGDR-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

713
Patents

149.04768 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 128.7
[M+Na]+ 172.03690 136.5
[M-H]- 148.04040 129.6
[M+NH4]+ 167.08150 147.7
[M+K]+ 188.01084 134.1
[M+H-H2O]+ 132.04494 122.5
[M+HCOO]- 194.04588 150.7
[M+CH3COO]- 208.06153 170.7
[M+Na-2H]- 170.02235 135.8
[M]+ 149.04713 127.6
[M]- 149.04823 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.