CID 155240

Hydroxytyrosol acetate

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CC(=O)OCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C10H12O4/c1-7(11)14-5-4-8-2-3-9(12)10(13)6-8/h2-3,6,12-13H,4-5H2,1H3

InChIKey

FGJGLFPNIZXRLV-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 176
Patents: 196.07356 Da
Monoisotopic Mass: -0.1
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]+	197.08084	141.1
[M+Na]+	219.06278	152.3
[M+NH4]+	214.10738	147.7
[M+K]+	235.03672	147.9
[M-H]-	195.06628	141.0
[M+Na-2H]-	217.04823	145.6
[M]+	196.07301	142.4
[M]-	196.07411	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe