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
1
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]+ 217.21620 158.3
[M+Na]+ 239.19814 161.9
[M-H]- 215.20164 157.7
[M+NH4]+ 234.24274 177.0
[M+K]+ 255.17208 162.6
[M+H-H2O]+ 199.20618 152.9
[M+HCOO]- 261.20712 176.4
[M+CH3COO]- 275.22277 195.7
[M+Na-2H]- 237.18359 156.6
[M]+ 216.20837 162.6
[M]- 216.20947 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.