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

2623
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

literature stripe

Patent stripe

patents stripe