CID 12187661

442536-99-4

Structural Information

Molecular Formula

C₁₂H₁₄O₅

SMILES

C1=CC=C(C=C1)C(=O)C(=O)OCCOCCO

InChI

InChI=1S/C12H14O5/c13-6-7-16-8-9-17-12(15)11(14)10-4-2-1-3-5-10/h1-5,13H,6-9H2

InChIKey

RQGSZGCFMVGVJR-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)ethyl 2-oxo-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1726
Patents: 238.08412 Da
Monoisotopic Mass: 1.0
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]+	239.091396	151.7
[M+Na]+	261.073338	157.2
[M-H]-	237.076844	153.4
[M+NH4]+	256.117943	168.1
[M+K]+	277.047278	156.1
[M+H-H2O]+	221.081380	145.1
[M+HCOO]-	283.082321	173.3
[M+CH3COO]-	297.097971	187.2
[M+Na-2H]-	259.058786	155.4
[M]+	238.08357142	155.3
[M]-	238.08466858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe