CID 86278356

1-isobutoxy-1-isopentyloxy-3-methylbutane

Structural Information

Molecular Formula
C14H30O2
SMILES
CC(C)CCOC(CC(C)C)OCC(C)C
InChI
InChI=1S/C14H30O2/c1-11(2)7-8-15-14(9-12(3)4)16-10-13(5)6/h11-14H,7-10H2,1-6H3
InChIKey
HSBMJOHFCSICMS-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-methylbutoxy)-1-(2-methylpropoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

230.22458 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 160.1
[M+Na]+ 253.21380 167.7
[M+NH4]+ 248.25840 166.5
[M+K]+ 269.18774 163.2
[M-H]- 229.21730 158.6
[M+Na-2H]- 251.19925 160.8
[M]+ 230.22403 160.5
[M]- 230.22513 160.5
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

No patent data available for this compound.