CID 71596738

101135-02-8

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC(=O)OC1=CC=C(C=C1)C(C=C)O

InChI

InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h3-7,11,13H,1H2,2H3

InChIKey

GKYVDAMMLMMJGZ-UHFFFAOYSA-N

Compound name

[4-(1-hydroxyprop-2-enyl)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 14
Patents: 192.07864 Da
Monoisotopic Mass: 1.7
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]+	193.085916	140.5
[M+Na]+	215.067858	147.6
[M-H]-	191.071364	142.9
[M+NH4]+	210.112463	159.4
[M+K]+	231.041798	145.7
[M+H-H2O]+	175.075900	134.9
[M+HCOO]-	237.076841	162.0
[M+CH3COO]-	251.092491	181.2
[M+Na-2H]-	213.053306	144.0
[M]+	192.07809142	141.2
[M]-	192.07918858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe