CID 106714

3-ethoxy-1,1,5-trimethylcyclohexane

Structural Information

Molecular Formula
C11H22O
SMILES
CCOC1CC(CC(C1)(C)C)C
InChI
InChI=1S/C11H22O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h9-10H,5-8H2,1-4H3
InChIKey
JVBNHJDWWBSWLE-UHFFFAOYSA-N
Compound name
3-ethoxy-1,1,5-trimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

513
Patents

170.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 140.4
[M+Na]+ 193.15629 151.7
[M+NH4]+ 188.20089 151.1
[M+K]+ 209.13023 143.0
[M-H]- 169.15979 142.9
[M+Na-2H]- 191.14174 146.7
[M]+ 170.16652 142.9
[M]- 170.16762 142.9
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