CID 200955

2982-16-3

Structural Information

Molecular Formula

C₁₄H₁₄O₆

SMILES

COC1=CC2=CC(=CC(=C2C(=C1OC)OC)O)C(=O)O

InChI

InChI=1S/C14H14O6/c1-18-10-6-7-4-8(14(16)17)5-9(15)11(7)13(20-3)12(10)19-2/h4-6,15H,1-3H3,(H,16,17)

InChIKey

ZKHQJCKIXLHNSC-UHFFFAOYSA-N

Compound name

4-hydroxy-5,6,7-trimethoxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.07904 Da
Monoisotopic Mass: 2.3
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]+	279.086316	157.2
[M+Na]+	301.068258	166.8
[M-H]-	277.071764	160.2
[M+NH4]+	296.112863	173.6
[M+K]+	317.042198	165.2
[M+H-H2O]+	261.076300	151.1
[M+HCOO]-	323.077241	177.2
[M+CH3COO]-	337.092891	197.7
[M+Na-2H]-	299.053706	160.8
[M]+	278.07849142	163.4
[M]-	278.07958858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.