CID 3016018

4-(1-phenylethyl)-o-cresol

Structural Information

Molecular Formula

C₁₅H₁₆O

SMILES

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

InChI

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

InChIKey

JNDJWNJPQORYBX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
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]+	213.127396	147.4
[M+Na]+	235.109338	154.9
[M-H]-	211.112844	153.1
[M+NH4]+	230.153943	165.7
[M+K]+	251.083278	150.9
[M+H-H2O]+	195.117380	140.8
[M+HCOO]-	257.118321	169.3
[M+CH3COO]-	271.133971	187.6
[M+Na-2H]-	233.094786	152.0
[M]+	212.11957142	146.6
[M]-	212.12066858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe