CID 4413708

6-methoxy-1-naphthoic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC1=CC2=C(C=C1)C(=CC=C2)C(=O)O

InChI

InChI=1S/C12H10O3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h2-7H,1H3,(H,13,14)

InChIKey

WRZAWKSSADRYTA-UHFFFAOYSA-N

Compound name

6-methoxynaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 202.06299 Da
Monoisotopic Mass: 3.1
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]+	203.070266	140.1
[M+Na]+	225.052208	148.9
[M-H]-	201.055714	143.8
[M+NH4]+	220.096813	159.8
[M+K]+	241.026148	146.2
[M+H-H2O]+	185.060250	134.3
[M+HCOO]-	247.061191	161.9
[M+CH3COO]-	261.076841	183.6
[M+Na-2H]-	223.037656	147.0
[M]+	202.06244142	141.8
[M]-	202.06353858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe