CID 380861

5,6-dimethoxy-2-naphthoic acid

Structural Information

Molecular Formula
C13H12O4
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)O)OC
InChI
InChI=1S/C13H12O4/c1-16-11-6-4-8-7-9(13(14)15)3-5-10(8)12(11)17-2/h3-7H,1-2H3,(H,14,15)
InChIKey
RHWBIJFJDHSLFI-UHFFFAOYSA-N
Compound name
5,6-dimethoxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

232.07356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 147.4
[M+Na]+ 255.06278 156.5
[M-H]- 231.06628 151.3
[M+NH4]+ 250.10738 166.0
[M+K]+ 271.03672 154.3
[M+H-H2O]+ 215.07082 141.3
[M+HCOO]- 277.07176 169.0
[M+CH3COO]- 291.08741 190.0
[M+Na-2H]- 253.04823 153.1
[M]+ 232.07301 151.3
[M]- 232.07411 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

No literature data available for this compound.

Patent stripe

patents stripe