CID 101139

31516-55-9

Structural Information

Molecular Formula

C₁₈H₂₂

SMILES

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

InChI

InChI=1S/C18H22/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3

InChIKey

QZPNCZQSSRONDB-UHFFFAOYSA-N

Compound name

(2-methyl-4-phenylpentan-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 238.17215 Da
Monoisotopic Mass: 5.9
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]+	239.17943	157.8
[M+Na]+	261.16137	163.0
[M-H]-	237.16487	163.8
[M+NH4]+	256.20597	175.2
[M+K]+	277.13531	159.0
[M+H-H2O]+	221.16941	150.6
[M+HCOO]-	283.17035	178.3
[M+CH3COO]-	297.18600	195.4
[M+Na-2H]-	259.14682	163.2
[M]+	238.17160	157.2
[M]-	238.17270	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe