CID 82397

2-phenylethyl 3-hydroxypropanoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1=CC=C(C=C1)CCOC(=O)CCO

InChI

InChI=1S/C11H14O3/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h1-5,12H,6-9H2

InChIKey

ASEYDOIBHUMWAV-UHFFFAOYSA-N

Compound name

2-phenylethyl 3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 194.0943 Da
Monoisotopic Mass: 1.5
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]+	195.10158	142.9
[M+Na]+	217.08352	154.3
[M+NH4]+	212.12812	150.4
[M+K]+	233.05746	148.3
[M-H]-	193.08702	143.8
[M+Na-2H]-	215.06897	148.7
[M]+	194.09375	144.6
[M]-	194.09485	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe