CID 57224956

Benzene, (1-methylpropyl)(2-phenylethyl)-

Structural Information

Molecular Formula
C18H22
SMILES
CCC(C)C1=CC=C(C=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C18H22/c1-3-15(2)18-13-11-17(12-14-18)10-9-16-7-5-4-6-8-16/h4-8,11-15H,3,9-10H2,1-2H3
InChIKey
YYHFGRFVLDPLTD-UHFFFAOYSA-N
Compound name
1-butan-2-yl-4-(2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

238.17215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 158.9
[M+Na]+ 261.16137 174.2
[M+NH4]+ 256.20597 168.9
[M+K]+ 277.13531 164.4
[M-H]- 237.16487 164.9
[M+Na-2H]- 259.14682 169.1
[M]+ 238.17160 163.1
[M]- 238.17270 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe