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

176
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 143.7
[M+Na]+ 219.11442 150.7
[M-H]- 195.11792 150.4
[M+NH4]+ 214.15902 163.0
[M+K]+ 235.08836 147.1
[M+H-H2O]+ 179.12246 136.9
[M+HCOO]- 241.12340 166.9
[M+CH3COO]- 255.13905 187.2
[M+Na-2H]- 217.09987 149.5
[M]+ 196.12465 143.0
[M]- 196.12575 143.0
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