CID 85662

13949-67-2

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

CC(C(=O)O)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)

InChIKey

KTAVXDDWEGVLRN-UHFFFAOYSA-N

Compound name

2-naphthalen-1-yloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 57
Patents: 216.07864 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]+	217.08592	145.4
[M+Na]+	239.06786	152.5
[M-H]-	215.07136	148.6
[M+NH4]+	234.11246	164.1
[M+K]+	255.04180	150.1
[M+H-H2O]+	199.07590	139.3
[M+HCOO]-	261.07684	165.9
[M+CH3COO]-	275.09249	186.4
[M+Na-2H]-	237.05331	151.2
[M]+	216.07809	146.4
[M]-	216.07919	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe