CID 57766

Brn 2583296

Structural Information

Molecular Formula

C₁₅H₁₈O₃

SMILES

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

InChI

InChI=1S/C15H18O3/c1-4-7-11-9-13(15(17)18-6-3)10-12(8-5-2)14(11)16/h4-5,9-10,16H,1-2,6-8H2,3H3

InChIKey

JOUJVFQMMSBQQO-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.1256 Da
Monoisotopic Mass: 3.9
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]+	247.132876	155.7
[M+Na]+	269.114818	163.5
[M-H]-	245.118324	158.1
[M+NH4]+	264.159423	173.0
[M+K]+	285.088758	159.6
[M+H-H2O]+	229.122860	149.8
[M+HCOO]-	291.123801	177.0
[M+CH3COO]-	305.139451	194.0
[M+Na-2H]-	267.100266	157.0
[M]+	246.12505142	158.6
[M]-	246.12614858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe