CID 607046

1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene

Structural Information

Molecular Formula
C16H18
SMILES
CC1=CC=C(C=C1)CC2=C(C=CC(=C2)C)C
InChI
InChI=1S/C16H18/c1-12-5-8-15(9-6-12)11-16-10-13(2)4-7-14(16)3/h4-10H,11H2,1-3H3
InChIKey
IPBUXQXAOGGGBK-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2-[(4-methylphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

210.14085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 147.1
[M+Na]+ 233.130068 155.8
[M-H]- 209.133574 154.3
[M+NH4]+ 228.174673 166.6
[M+K]+ 249.104008 151.6
[M+H-H2O]+ 193.138110 140.3
[M+HCOO]- 255.139051 170.9
[M+CH3COO]- 269.154701 191.5
[M+Na-2H]- 231.115516 152.2
[M]+ 210.14030142 148.1
[M]- 210.14139858 148.1
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