CID 13080942

Methyl 4-hydroxy-2-naphthoate

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

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

InChI

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

InChIKey

UHBWWQMCPGCLPP-UHFFFAOYSA-N

Compound name

methyl 4-hydroxynaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 202.06299 Da
Monoisotopic Mass: 2.2
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	140.9
[M+Na]+	225.05221	154.9
[M+NH4]+	220.09681	149.7
[M+K]+	241.02615	148.5
[M-H]-	201.05571	143.2
[M+Na-2H]-	223.03766	147.8
[M]+	202.06244	143.6
[M]-	202.06354	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe