CID 68260

1,1-di-p-tolylethane

Structural Information

Molecular Formula
C16H18
SMILES
CC1=CC=C(C=C1)C(C)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H18/c1-12-4-8-15(9-5-12)14(3)16-10-6-13(2)7-11-16/h4-11,14H,1-3H3
InChIKey
IDONYCOFOUUWLB-UHFFFAOYSA-N
Compound name
1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

279
Patents

210.14085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 149.2
[M+Na]+ 233.13007 165.3
[M+NH4]+ 228.17467 159.6
[M+K]+ 249.10401 156.2
[M-H]- 209.13357 155.3
[M+Na-2H]- 231.11552 159.8
[M]+ 210.14030 153.6
[M]- 210.14140 153.6
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