CID 86129

Octane, 2-(or 6)-ethoxy-2,6-dimethyl-

Structural Information

Molecular Formula
C12H26O
SMILES
CCC(C)CCCC(C)(C)OCC
InChI
InChI=1S/C12H26O/c1-6-11(3)9-8-10-12(4,5)13-7-2/h11H,6-10H2,1-5H3
InChIKey
KGVPDQAYYZRUIJ-UHFFFAOYSA-N
Compound name
2-ethoxy-2,6-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

186.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.20564 148.1
[M+Na]+ 209.18758 157.4
[M+NH4]+ 204.23218 155.6
[M+K]+ 225.16152 151.6
[M-H]- 185.19108 147.2
[M+Na-2H]- 207.17303 150.8
[M]+ 186.19781 149.1
[M]- 186.19891 149.1
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

patents stripe