CID 36676

3,3',4,4'-tetramethylbibenzyl

Structural Information

Molecular Formula
C18H22
SMILES
CC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C18H22/c1-13-5-7-17(11-15(13)3)9-10-18-8-6-14(2)16(4)12-18/h5-8,11-12H,9-10H2,1-4H3
InChIKey
MOPBWASVAUDDTC-UHFFFAOYSA-N
Compound name
4-[2-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

771
Patents

238.17215 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 155.8
[M+Na]+ 261.16137 164.6
[M-H]- 237.16487 163.0
[M+NH4]+ 256.20597 174.4
[M+K]+ 277.13531 159.9
[M+H-H2O]+ 221.16941 148.8
[M+HCOO]- 283.17035 178.9
[M+CH3COO]- 297.18600 198.7
[M+Na-2H]- 259.14682 159.0
[M]+ 238.17160 157.9
[M]- 238.17270 157.9
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