CID 3018567

3-methyl-1-[1-(2-methylpropoxy)ethoxy]butane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe