CID 22171384

Methyl 4-hydroxy-1-naphthoate

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC(=O)C1=CC=C(C2=CC=CC=C21)O

InChI

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

InChIKey

IVAXJJJTBDVHEA-UHFFFAOYSA-N

Compound name

methyl 4-hydroxynaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
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]+	203.070266	140.3
[M+Na]+	225.052208	149.2
[M-H]-	201.055714	144.1
[M+NH4]+	220.096813	160.1
[M+K]+	241.026148	146.5
[M+H-H2O]+	185.060250	134.5
[M+HCOO]-	247.061191	162.1
[M+CH3COO]-	261.076841	183.0
[M+Na-2H]-	223.037656	147.2
[M]+	202.06244142	141.9
[M]-	202.06353858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe