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
2
Annotation Hits

0
References

31
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 187.8
[M+Na]+ 357.27639 193.5
[M-H]- 333.27989 190.9
[M+NH4]+ 352.32099 203.0
[M+K]+ 373.25033 190.7
[M+H-H2O]+ 317.28443 181.6
[M+HCOO]- 379.28537 205.4
[M+CH3COO]- 393.30102 217.5
[M+Na-2H]- 355.26184 188.9
[M]+ 334.28662 195.5
[M]- 334.28772 195.6
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