CID 3684842

1,3-dimethyl-5-(1-phenylethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

210.14085 Da
Monoisotopic Mass

5.5
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

No literature data available for this compound.

Patent stripe

patents stripe