CID 10082020

Methyl 7-methoxynaphthalene-2-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

COC1=CC2=C(C=CC(=C2)C(=O)OC)C=C1

InChI

InChI=1S/C13H12O3/c1-15-12-6-5-9-3-4-10(13(14)16-2)7-11(9)8-12/h3-8H,1-2H3

InChIKey

FCGMYOHQMJECKJ-UHFFFAOYSA-N

Compound name

methyl 7-methoxynaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 216.07864 Da
Monoisotopic Mass: 3.0
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]+	217.08592	144.5
[M+Na]+	239.06786	153.5
[M-H]-	215.07136	149.6
[M+NH4]+	234.11246	164.5
[M+K]+	255.04180	151.4
[M+H-H2O]+	199.07590	138.3
[M+HCOO]-	261.07684	167.6
[M+CH3COO]-	275.09249	188.5
[M+Na-2H]-	237.05331	151.4
[M]+	216.07809	148.3
[M]-	216.07919	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe