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]+ 171.174346 141.8
[M+Na]+ 193.156288 145.7
[M-H]- 169.159794 144.2
[M+NH4]+ 188.200893 162.2
[M+K]+ 209.130228 145.0
[M+H-H2O]+ 153.164330 136.5
[M+HCOO]- 215.165271 160.0
[M+CH3COO]- 229.180921 181.0
[M+Na-2H]- 191.141736 146.6
[M]+ 170.16652142 139.1
[M]- 170.16761858 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