CID 16217849

4,7-dimethoxy-1-naphthoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 148.2
[M+Na]+ 255.06278 161.8
[M+NH4]+ 250.10738 156.1
[M+K]+ 271.03672 155.9
[M-H]- 231.06628 149.9
[M+Na-2H]- 253.04823 154.0
[M]+ 232.07301 150.6
[M]- 232.07411 150.6
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