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
5
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]+ 231.231856 163.1
[M+Na]+ 253.213798 166.2
[M-H]- 229.217304 162.3
[M+NH4]+ 248.258403 181.2
[M+K]+ 269.187738 166.7
[M+H-H2O]+ 213.221840 157.4
[M+HCOO]- 275.222781 180.8
[M+CH3COO]- 289.238431 198.7
[M+Na-2H]- 251.199246 160.8
[M]+ 230.22403142 167.8
[M]- 230.22512858 167.8
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.