CID 89243

1,1'-[isobutylidenebis(oxy)]bis[2-ethylhexane]

Structural Information

Molecular Formula
C20H42O2
SMILES
CCCCC(CC)COC(C(C)C)OCC(CC)CCCC
InChI
InChI=1S/C20H42O2/c1-7-11-13-18(9-3)15-21-20(17(5)6)22-16-19(10-4)14-12-8-2/h17-20H,7-16H2,1-6H3
InChIKey
BCZAQIZGCCZLOA-UHFFFAOYSA-N
Compound name
3-[[1-(2-ethylhexoxy)-2-methylpropoxy]methyl]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

314.31848 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.32576 191.1
[M+Na]+ 337.30770 191.7
[M-H]- 313.31120 189.1
[M+NH4]+ 332.35230 205.8
[M+K]+ 353.28164 190.6
[M+H-H2O]+ 297.31574 184.3
[M+HCOO]- 359.31668 206.8
[M+CH3COO]- 373.33233 216.3
[M+Na-2H]- 335.29315 185.6
[M]+ 314.31793 198.0
[M]- 314.31903 198.0
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