CID 137605

Methyl 2-naphthoate

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

COC(=O)C1=CC2=CC=CC=C2C=C1

InChI

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

InChIKey

IODOXLXFXNATGI-UHFFFAOYSA-N

Compound name

methyl naphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 524
Patents: 186.06808 Da
Monoisotopic Mass: 3.6
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	152.3
[M+NH4]+	204.10190	147.3
[M+K]+	225.03124	144.8
[M-H]-	185.06080	140.9
[M+Na-2H]-	207.04275	145.7
[M]+	186.06753	140.7
[M]-	186.06863	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe