CID 259653

1132-05-4

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

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

InChI

InChI=1S/C11H12O2/c1-3-4-10-7-9(8(2)12)5-6-11(10)13/h3,5-7,13H,1,4H2,2H3

InChIKey

XVTCWUFLNLZPEJ-UHFFFAOYSA-N

Compound name

1-(4-hydroxy-3-prop-2-enylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 174
Patents: 176.08372 Da
Monoisotopic Mass: 2.3
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]+	177.09100	137.9
[M+Na]+	199.07294	150.6
[M+NH4]+	194.11754	145.7
[M+K]+	215.04688	144.4
[M-H]-	175.07644	139.2
[M+Na-2H]-	197.05839	143.7
[M]+	176.08317	140.0
[M]-	176.08427	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe