CID 6862

86-87-3

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)O

InChI

InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)

InChIKey

PRPINYUDVPFIRX-UHFFFAOYSA-N

Compound name

2-naphthalen-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 714
References: 38571
Patents: 186.06808 Da
Monoisotopic Mass: 2.7
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	138.0
[M+Na]+	209.05730	152.1
[M+NH4]+	204.10190	147.3
[M+K]+	225.03124	145.0
[M-H]-	185.06080	140.7
[M+Na-2H]-	207.04275	145.5
[M]+	186.06753	140.8
[M]-	186.06863	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe