CID 112422

70544-46-6

Structural Information

Molecular Formula
C32H58O2
SMILES
CCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC)OCCCCCCCC)C(C)(C)CC
InChI
InChI=1S/C32H58O2/c1-9-13-15-17-19-21-23-33-29-25-28(32(7,8)12-4)30(26-27(29)31(5,6)11-3)34-24-22-20-18-16-14-10-2/h25-26H,9-24H2,1-8H3
InChIKey
KXSIYNASVRUUQO-UHFFFAOYSA-N
Compound name
1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

122
Patents

474.4437 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.45098 231.9
[M+Na]+ 497.43292 240.6
[M+NH4]+ 492.47752 236.6
[M+K]+ 513.40686 231.3
[M-H]- 473.43642 232.2
[M+Na-2H]- 495.41837 233.0
[M]+ 474.44315 233.4
[M]- 474.44425 233.4
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