CID 76313

2976-75-2

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(=O)O

InChI

InChI=1S/C12H10O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)

InChIKey

GHRYSOFWKRRLMI-UHFFFAOYSA-N

Compound name

2-naphthalen-1-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 36
References: 3103
Patents: 202.06299 Da
Monoisotopic Mass: 2.8
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]+	203.07027	141.2
[M+Na]+	225.05221	154.8
[M+NH4]+	220.09681	149.9
[M+K]+	241.02615	148.2
[M-H]-	201.05571	143.4
[M+Na-2H]-	223.03766	148.2
[M]+	202.06244	143.7
[M]-	202.06354	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe