CID 776396

Trans-3-(3-pyridyl)acrylic acid

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

9
References

1319
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

literature stripe

Patent stripe

patents stripe