CID 175128

(1-ethoxy-1-methylethyl)cyclohexane

Structural Information

Molecular Formula
C11H22O
SMILES
CCOC(C)(C)C1CCCCC1
InChI
InChI=1S/C11H22O/c1-4-12-11(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKey
MQFSZQIPCBEAGQ-UHFFFAOYSA-N
Compound name
2-ethoxypropan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 141.8
[M+Na]+ 193.15629 145.7
[M-H]- 169.15979 144.2
[M+NH4]+ 188.20089 162.2
[M+K]+ 209.13023 145.0
[M+H-H2O]+ 153.16433 136.5
[M+HCOO]- 215.16527 160.0
[M+CH3COO]- 229.18092 181.0
[M+Na-2H]- 191.14174 146.6
[M]+ 170.16652 139.1
[M]- 170.16762 139.1
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