CID 3020407

1-isobutoxy-1-ethoxy-3-methylbutane

Structural Information

Molecular Formula
C11H24O2
SMILES
CCOC(CC(C)C)OCC(C)C
InChI
InChI=1S/C11H24O2/c1-6-12-11(7-9(2)3)13-8-10(4)5/h9-11H,6-8H2,1-5H3
InChIKey
CDUMXRCATAAWBT-UHFFFAOYSA-N
Compound name
1-ethoxy-3-methyl-1-(2-methylpropoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

188.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.18491 149.1
[M+Na]+ 211.16685 153.6
[M-H]- 187.17035 148.7
[M+NH4]+ 206.21145 168.9
[M+K]+ 227.14079 154.4
[M+H-H2O]+ 171.17489 143.8
[M+HCOO]- 233.17583 168.7
[M+CH3COO]- 247.19148 188.8
[M+Na-2H]- 209.15230 149.7
[M]+ 188.17708 153.2
[M]- 188.17818 153.2
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.