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

644
Patents

170.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 139.3
[M+Na]+ 193.156288 145.6
[M-H]- 169.159794 142.7
[M+NH4]+ 188.200893 162.3
[M+K]+ 209.130228 144.8
[M+H-H2O]+ 153.164330 134.9
[M+HCOO]- 215.165271 159.1
[M+CH3COO]- 229.180921 182.4
[M+Na-2H]- 191.141736 143.4
[M]+ 170.16652142 138.2
[M]- 170.16761858 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

literature stripe

Patent stripe

patents stripe