CID 53217916

Methyl 3-(3-hydroxypyridin-2-yl)benzoate hydrochloride

Structural Information

Molecular Formula
C13H11NO3
SMILES
COC(=O)C1=CC=CC(=C1)C2=C(C=CC=N2)O
InChI
InChI=1S/C13H11NO3/c1-17-13(16)10-5-2-4-9(8-10)12-11(15)6-3-7-14-12/h2-8,15H,1H3
InChIKey
FRKYLTKWTOKMAF-UHFFFAOYSA-N
Compound name
methyl 3-(3-hydroxypyridin-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 148.7
[M+Na]+ 252.06312 157.1
[M-H]- 228.06662 153.3
[M+NH4]+ 247.10772 164.6
[M+K]+ 268.03706 154.0
[M+H-H2O]+ 212.07116 140.9
[M+HCOO]- 274.07210 170.5
[M+CH3COO]- 288.08775 186.9
[M+Na-2H]- 250.04857 154.3
[M]+ 229.07335 149.7
[M]- 229.07445 149.7
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