CID 95323

1817-67-0

Structural Information

Molecular Formula

C₁₅H₁₆O

SMILES

CC1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2

InChI

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

InChIKey

DJRYJQNZAYJVGF-UHFFFAOYSA-N

Compound name

4-methyl-2-(1-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 620
Patents: 212.12012 Da
Monoisotopic Mass: 4.2
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]+	213.12740	147.4
[M+Na]+	235.10934	154.9
[M-H]-	211.11284	153.1
[M+NH4]+	230.15394	165.7
[M+K]+	251.08328	150.9
[M+H-H2O]+	195.11738	140.8
[M+HCOO]-	257.11832	169.3
[M+CH3COO]-	271.13397	187.6
[M+Na-2H]-	233.09479	152.0
[M]+	212.11957	146.6
[M]-	212.12067	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe