CID 283028

6,7-dimethoxy-2-naphthoic acid

Structural Information

Molecular Formula
C13H12O4
SMILES
COC1=C(C=C2C=C(C=CC2=C1)C(=O)O)OC
InChI
InChI=1S/C13H12O4/c1-16-11-6-8-3-4-9(13(14)15)5-10(8)7-12(11)17-2/h3-7H,1-2H3,(H,14,15)
InChIKey
XMOYHYGPKOVFJI-UHFFFAOYSA-N
Compound name
6,7-dimethoxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

42
Patents

232.07356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 147.4
[M+Na]+ 255.062778 156.5
[M-H]- 231.066284 151.3
[M+NH4]+ 250.107383 166.0
[M+K]+ 271.036718 154.3
[M+H-H2O]+ 215.070820 141.3
[M+HCOO]- 277.071761 169.0
[M+CH3COO]- 291.087411 190.0
[M+Na-2H]- 253.048226 153.1
[M]+ 232.07301142 151.3
[M]- 232.07410858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe