CID 75210

2-ethoxy-1-naphthoic acid

Structural Information

Molecular Formula
C13H12O3
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)O
InChI
InChI=1S/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
InChIKey
MYFBSSDLYGWAHH-UHFFFAOYSA-N
Compound name
2-ethoxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

515
Patents

216.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 144.8
[M+Na]+ 239.06786 153.2
[M-H]- 215.07136 148.4
[M+NH4]+ 234.11246 164.0
[M+K]+ 255.04180 150.3
[M+H-H2O]+ 199.07590 138.8
[M+HCOO]- 261.07684 166.3
[M+CH3COO]- 275.09249 186.7
[M+Na-2H]- 237.05331 151.2
[M]+ 216.07809 146.9
[M]- 216.07919 146.9
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