CID 86378

125904-18-9

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCOC1=CC(=C(C=C1C(C)(C)C)OCCCC)C(C)(C)C
InChI
InChI=1S/C22H38O2/c1-9-11-13-23-19-15-18(22(6,7)8)20(24-14-12-10-2)16-17(19)21(3,4)5/h15-16H,9-14H2,1-8H3
InChIKey
OYMURBYTRMDBKX-UHFFFAOYSA-N
Compound name
1,4-dibutoxy-2,5-ditert-butylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

334.28717 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 188.3
[M+Na]+ 357.27639 199.2
[M+NH4]+ 352.32099 194.8
[M+K]+ 373.25033 192.2
[M-H]- 333.27989 189.2
[M+Na-2H]- 355.26184 192.0
[M]+ 334.28662 190.3
[M]- 334.28772 190.3
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