CID 112021

3,4-dimethyl-3,4-diphenylhexane

Structural Information

Molecular Formula
C20H26
SMILES
CCC(C)(C1=CC=CC=C1)C(C)(CC)C2=CC=CC=C2
InChI
InChI=1S/C20H26/c1-5-19(3,17-13-9-7-10-14-17)20(4,6-2)18-15-11-8-12-16-18/h7-16H,5-6H2,1-4H3
InChIKey
WQJUBZMZVKITBU-UHFFFAOYSA-N
Compound name
(3,4-dimethyl-4-phenylhexan-3-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2289
Patents

266.20346 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21074 166.5
[M+Na]+ 289.19268 171.5
[M-H]- 265.19618 172.4
[M+NH4]+ 284.23728 182.9
[M+K]+ 305.16662 167.1
[M+H-H2O]+ 249.20072 159.3
[M+HCOO]- 311.20166 185.7
[M+CH3COO]- 325.21731 201.1
[M+Na-2H]- 287.17813 172.8
[M]+ 266.20291 166.8
[M]- 266.20401 166.8
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

No patent data available for this compound.