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

123
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.8
[M+Na]+ 174.052538 137.0
[M-H]- 150.056044 130.8
[M+NH4]+ 169.097143 148.7
[M+K]+ 190.026478 135.7
[M+H-H2O]+ 134.060580 123.7
[M+HCOO]- 196.061521 150.6
[M+CH3COO]- 210.077171 173.1
[M+Na-2H]- 172.037986 135.7
[M]+ 151.06277142 128.9
[M]- 151.06386858 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