CID 8422

2-naphthoxyacetic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(=O)O

InChI

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

InChIKey

RZCJYMOBWVJQGV-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 41
References: 14508
Patents: 202.06299 Da
Monoisotopic Mass: 2.5
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	140.5
[M+Na]+	225.052208	148.4
[M-H]-	201.055714	143.8
[M+NH4]+	220.096813	159.9
[M+K]+	241.026148	145.6
[M+H-H2O]+	185.060250	134.5
[M+HCOO]-	247.061191	162.3
[M+CH3COO]-	261.076841	182.5
[M+Na-2H]-	223.037656	148.1
[M]+	202.06244142	141.8
[M]-	202.06353858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe