CID 146677681

Dtxsid901020870

Structural Information

Molecular Formula
C13H28O2
SMILES
CC(C)CCOC(C(C)C)OCC(C)C
InChI
InChI=1S/C13H28O2/c1-10(2)7-8-14-13(12(5)6)15-9-11(3)4/h10-13H,7-9H2,1-6H3
InChIKey
GXDWJBFZVUJZMK-UHFFFAOYSA-N
Compound name
3-methyl-1-[2-methyl-1-(2-methylpropoxy)propoxy]butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

216.20892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.216196 158.3
[M+Na]+ 239.198138 161.9
[M-H]- 215.201644 157.7
[M+NH4]+ 234.242743 177.0
[M+K]+ 255.172078 162.6
[M+H-H2O]+ 199.206180 152.9
[M+HCOO]- 261.207121 176.4
[M+CH3COO]- 275.222771 195.7
[M+Na-2H]- 237.183586 156.6
[M]+ 216.20837142 162.6
[M]- 216.20946858 162.6
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.