CID 123377

O-cumylphenol

Structural Information

Molecular Formula

C₁₅H₁₆O

SMILES

CC(C)(C1=CC=CC=C1)C2=CC=CC=C2O

InChI

InChI=1S/C15H16O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h3-11,16H,1-2H3

InChIKey

CJWNFAKWHDOUKL-UHFFFAOYSA-N

Compound name

2-(2-phenylpropan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11520
Patents: 212.12012 Da
Monoisotopic Mass: 4.4
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]+	213.127396	147.7
[M+Na]+	235.109338	155.0
[M-H]-	211.112844	153.3
[M+NH4]+	230.153943	165.8
[M+K]+	251.083278	150.9
[M+H-H2O]+	195.117380	141.4
[M+HCOO]-	257.118321	169.0
[M+CH3COO]-	271.133971	186.0
[M+Na-2H]-	233.094786	154.9
[M]+	212.11957142	146.7
[M]-	212.12066858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe