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

20
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

No literature data available for this compound.

Patent stripe

patents stripe