CID 99818

Ethyl 3-hydroxy-3-phenylpropanoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCOC(=O)CC(C1=CC=CC=C1)O

InChI

InChI=1S/C11H14O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3

InChIKey

DVIBDQWVFHDBOP-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxy-3-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 517
Patents: 194.0943 Da
Monoisotopic Mass: 1.3
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]+	195.10158	142.9
[M+Na]+	217.08352	153.9
[M+NH4]+	212.12812	150.2
[M+K]+	233.05746	148.7
[M-H]-	193.08702	143.5
[M+Na-2H]-	215.06897	148.3
[M]+	194.09375	144.4
[M]-	194.09485	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe