CID 3058298

Phenol, 2-cyclopropyl-6-isopropyl-

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC(C)C1=CC=CC(=C1O)C2CC2

InChI

InChI=1S/C12H16O/c1-8(2)10-4-3-5-11(12(10)13)9-6-7-9/h3-5,8-9,13H,6-7H2,1-2H3

InChIKey

IBRFCFDKAWTDFL-UHFFFAOYSA-N

Compound name

2-cyclopropyl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 176.12012 Da
Monoisotopic Mass: 3.6
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	139.4
[M+Na]+	199.10934	153.8
[M+NH4]+	194.15394	149.2
[M+K]+	215.08328	148.7
[M-H]-	175.11284	149.8
[M+Na-2H]-	197.09479	149.3
[M]+	176.11957	145.6
[M]-	176.12067	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe