CID 113723

63715-95-7

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CC(=O)OCC(COC1=CC=CC=C1)O

InChI

InChI=1S/C11H14O4/c1-9(12)14-7-10(13)8-15-11-5-3-2-4-6-11/h2-6,10,13H,7-8H2,1H3

InChIKey

DQUIGLNWFFUKSE-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-phenoxypropyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 210.0892 Da
Monoisotopic Mass: 1.2
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]+	211.09648	145.8
[M+Na]+	233.07842	156.3
[M+NH4]+	228.12302	152.5
[M+K]+	249.05236	151.7
[M-H]-	209.08192	145.9
[M+Na-2H]-	231.06387	150.8
[M]+	210.08865	147.0
[M]-	210.08975	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe