CID 4611298

23473-74-7

Structural Information

Molecular Formula

C₁₃H₁₈O

SMILES

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

InChI

InChI=1S/C13H18O/c1-5-6-10-9-11(13(2,3)4)7-8-12(10)14/h5,7-9,14H,1,6H2,2-4H3

InChIKey

FRNWSIKJSAZPLL-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-prop-2-enylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 190.13577 Da
Monoisotopic Mass: 4.3
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]+	191.14305	143.3
[M+Na]+	213.12499	151.4
[M-H]-	189.12849	146.0
[M+NH4]+	208.16959	163.2
[M+K]+	229.09893	148.1
[M+H-H2O]+	173.13303	138.6
[M+HCOO]-	235.13397	164.0
[M+CH3COO]-	249.14962	183.9
[M+Na-2H]-	211.11044	148.4
[M]+	190.13522	143.9
[M]-	190.13632	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe