CID 7140

2-naphthyl lactate

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

CC(C(=O)OC1=CC2=CC=CC=C2C=C1)O

InChI

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

InChIKey

RTXHNOBSQMHTSB-UHFFFAOYSA-N

Compound name

naphthalen-2-yl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4668
Patents: 216.07864 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]+	217.08592	145.8
[M+Na]+	239.06786	158.8
[M+NH4]+	234.11246	154.2
[M+K]+	255.04180	152.8
[M-H]-	215.07136	147.7
[M+Na-2H]-	237.05331	152.1
[M]+	216.07809	148.1
[M]-	216.07919	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe