CID 3859696

Methyl 1,4-dimethoxy-2-naphthoate

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

COC1=CC(=C(C2=CC=CC=C21)OC)C(=O)OC

InChI

InChI=1S/C14H14O4/c1-16-12-8-11(14(15)18-3)13(17-2)10-7-5-4-6-9(10)12/h4-8H,1-3H3

InChIKey

YCLPKVULIDNCMN-UHFFFAOYSA-N

Compound name

methyl 1,4-dimethoxynaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 246.0892 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]+	247.096476	151.8
[M+Na]+	269.078418	161.1
[M-H]-	245.081924	157.0
[M+NH4]+	264.123023	170.7
[M+K]+	285.052358	159.5
[M+H-H2O]+	229.086460	145.3
[M+HCOO]-	291.087401	174.6
[M+CH3COO]-	305.103051	194.9
[M+Na-2H]-	267.063866	157.5
[M]+	246.08865142	157.8
[M]-	246.08974858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe