CID 39231666

1181566-40-4

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)O
InChI
InChI=1S/C12H9NO3/c14-11-3-1-8(2-4-11)9-5-10(12(15)16)7-13-6-9/h1-7,14H,(H,15,16)
InChIKey
DRHYGHNDVGOJDZ-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 144.4
[M+Na]+ 238.047458 152.7
[M-H]- 214.050964 147.7
[M+NH4]+ 233.092063 160.1
[M+K]+ 254.021398 148.9
[M+H-H2O]+ 198.055500 137.1
[M+HCOO]- 260.056441 165.0
[M+CH3COO]- 274.072091 182.1
[M+Na-2H]- 236.032906 150.1
[M]+ 215.05769142 143.3
[M]- 215.05878858 143.3
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.