CID 39231670

1181452-05-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.4
[M+Na]+ 238.04746 152.7
[M-H]- 214.05096 147.7
[M+NH4]+ 233.09206 160.1
[M+K]+ 254.02140 148.9
[M+H-H2O]+ 198.05550 137.1
[M+HCOO]- 260.05644 165.0
[M+CH3COO]- 274.07209 182.1
[M+Na-2H]- 236.03291 150.1
[M]+ 215.05769 143.3
[M]- 215.05879 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

patents stripe