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

155
Patents

238.17215 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 159.4
[M+Na]+ 261.16137 174.1
[M+NH4]+ 256.20597 169.2
[M+K]+ 277.13531 165.3
[M-H]- 237.16487 164.7
[M+Na-2H]- 259.14682 169.8
[M]+ 238.17160 163.4
[M]- 238.17270 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe