CID 10867260

1-methyl-4-(1-phenylethyl)benzene

Structural Information

Molecular Formula
C15H16
SMILES
CC1=CC=C(C=C1)C(C)C2=CC=CC=C2
InChI
InChI=1S/C15H16/c1-12-8-10-15(11-9-12)13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKey
BOKDBSJFKVOFBS-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

196.1252 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13248 145.0
[M+Na]+ 219.11442 161.0
[M+NH4]+ 214.15902 155.6
[M+K]+ 235.08836 151.9
[M-H]- 195.11792 151.2
[M+Na-2H]- 217.09987 156.2
[M]+ 196.12465 149.4
[M]- 196.12575 149.4
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