CID 84940

15484-80-7

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

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

InChI

InChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3

InChIKey

ZLHVSEPPILCZHH-UHFFFAOYSA-N

Compound name

ethenyl 4-tert-butylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2574
Patents: 204.11504 Da
Monoisotopic Mass: 4.7
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]+	205.12232	146.9
[M+Na]+	227.10426	159.0
[M+NH4]+	222.14886	154.5
[M+K]+	243.07820	153.1
[M-H]-	203.10776	147.9
[M+Na-2H]-	225.08971	152.9
[M]+	204.11449	148.9
[M]-	204.11559	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe