CID 11085203

3-methoxy-5-methyl-1-naphthoate

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

CC1=C2C=C(C=C(C2=CC=C1)C(=O)O)OC

InChI

InChI=1S/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)

InChIKey

LBYWDHUJYQYMJV-UHFFFAOYSA-N

Compound name

3-methoxy-5-methylnaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 216.07864 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.08592	145.0
[M+Na]+	239.06786	159.2
[M+NH4]+	234.11246	153.6
[M+K]+	255.04180	152.8
[M-H]-	215.07136	147.3
[M+Na-2H]-	237.05331	151.4
[M]+	216.07809	147.7
[M]-	216.07919	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe