CID 7140

Lactonaphthol

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: 5202
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]+	217.085916	145.6
[M+Na]+	239.067858	152.8
[M-H]-	215.071364	148.9
[M+NH4]+	234.112463	164.4
[M+K]+	255.041798	150.4
[M+H-H2O]+	199.075900	139.6
[M+HCOO]-	261.076841	166.1
[M+CH3COO]-	275.092491	185.7
[M+Na-2H]-	237.053306	151.4
[M]+	216.07809142	146.5
[M]-	216.07918858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe