CID 115274

Naphthoxylactic acid

Structural Information

Molecular Formula

C₁₃H₁₂O₄

SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(C(=O)O)O

InChI

InChI=1S/C13H12O4/c14-11(13(15)16)8-17-12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,14H,8H2,(H,15,16)

InChIKey

CFQFHRDQYGTGFA-UHFFFAOYSA-N

Compound name

2-hydroxy-3-naphthalen-1-yloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 46
Patents: 232.07356 Da
Monoisotopic Mass: 2.6
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]+	233.08084	149.2
[M+Na]+	255.06278	161.1
[M+NH4]+	250.10738	156.6
[M+K]+	271.03672	156.0
[M-H]-	231.06628	150.0
[M+Na-2H]-	253.04823	154.5
[M]+	232.07301	150.9
[M]-	232.07411	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe