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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08632 159.0
[M+Na]+ 301.06826 171.5
[M+NH4]+ 296.11286 165.1
[M+K]+ 317.04220 167.3
[M-H]- 277.07176 159.2
[M+Na-2H]- 299.05371 162.5
[M]+ 278.07849 160.7
[M]- 278.07959 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.