CID 597859

8-methyl-1-naphthoic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

InChI=1S/C12H10O2/c1-8-4-2-5-9-6-3-7-10(11(8)9)12(13)14/h2-7H,1H3,(H,13,14)

InChIKey

FLBHUCKQJRXXQB-UHFFFAOYSA-N

Compound name

8-methylnaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 186.06808 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]+	187.07536	137.6
[M+Na]+	209.05730	152.0
[M+NH4]+	204.10190	146.9
[M+K]+	225.03124	145.1
[M-H]-	185.06080	140.4
[M+Na-2H]-	207.04275	144.9
[M]+	186.06753	140.5
[M]-	186.06863	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe