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
3
Annotation Hits

0
References

559
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 139.3
[M+Na]+ 193.15629 145.6
[M-H]- 169.15979 142.7
[M+NH4]+ 188.20089 162.3
[M+K]+ 209.13023 144.8
[M+H-H2O]+ 153.16433 134.9
[M+HCOO]- 215.16527 159.1
[M+CH3COO]- 229.18092 182.4
[M+Na-2H]- 191.14174 143.4
[M]+ 170.16652 138.2
[M]- 170.16762 138.2
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