CID 70163

Methyl 3-hydroxy-2-naphthoate

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C12H10O3/c1-15-12(14)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7,13H,1H3

InChIKey

YVVBECLPRBAATK-UHFFFAOYSA-N

Compound name

methyl 3-hydroxynaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1024
Patents: 202.06299 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.07027	140.3
[M+Na]+	225.05221	149.2
[M-H]-	201.05571	144.1
[M+NH4]+	220.09681	160.1
[M+K]+	241.02615	146.5
[M+H-H2O]+	185.06025	134.5
[M+HCOO]-	247.06119	162.1
[M+CH3COO]-	261.07684	183.0
[M+Na-2H]-	223.03766	147.2
[M]+	202.06244	141.9
[M]-	202.06354	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe