CID 11195280

103722-72-1

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

COC(=O)[C@@H](C1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C13H12O3/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,14H,1H3/t12-/m1/s1

InChIKey

FYYNCCJQFYAANR-GFCCVEGCSA-N

Compound name

methyl (2R)-2-hydroxy-2-naphthalen-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.07864 Da
Monoisotopic Mass: 2.4
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	145.6
[M+Na]+	239.06786	152.8
[M-H]-	215.07136	148.9
[M+NH4]+	234.11246	164.4
[M+K]+	255.04180	150.4
[M+H-H2O]+	199.07590	139.6
[M+HCOO]-	261.07684	166.1
[M+CH3COO]-	275.09249	185.7
[M+Na-2H]-	237.05331	151.4
[M]+	216.07809	146.5
[M]-	216.07919	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.