CID 15406935

Sodium 2-(pyridin-4-yl)propanoate

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(C1=CC=NC=C1)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-6(8(10)11)7-2-4-9-5-3-7/h2-6H,1H3,(H,10,11)
InChIKey
OOXKSUTUUWFMBF-UHFFFAOYSA-N
Compound name
2-pyridin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.8
[M+Na]+ 174.05254 137.0
[M-H]- 150.05604 130.8
[M+NH4]+ 169.09714 148.7
[M+K]+ 190.02648 135.7
[M+H-H2O]+ 134.06058 123.7
[M+HCOO]- 196.06152 150.6
[M+CH3COO]- 210.07717 173.1
[M+Na-2H]- 172.03799 135.7
[M]+ 151.06277 128.9
[M]- 151.06387 128.9
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