CID 19710759

74926-89-9

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

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

InChI

InChI=1S/C12H16O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-7,9,13H,1H2,2-4H3

InChIKey

GJROCIUTKTZPSH-UHFFFAOYSA-N

Compound name

2-propan-2-yl-6-prop-1-en-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 176.12012 Da
Monoisotopic Mass: 4.1
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]+	177.12740	138.7
[M+Na]+	199.10934	146.2
[M-H]-	175.11284	141.4
[M+NH4]+	194.15394	158.8
[M+K]+	215.08328	143.6
[M+H-H2O]+	159.11738	133.7
[M+HCOO]-	221.11832	159.3
[M+CH3COO]-	235.13397	182.9
[M+Na-2H]-	197.09479	141.1
[M]+	176.11957	138.1
[M]-	176.12067	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe