CID 84108527

2-(2-cyclohexylethyl)-2-methyloxirane

Structural Information

Molecular Formula
C11H20O
SMILES
CC1(CO1)CCC2CCCCC2
InChI
InChI=1S/C11H20O/c1-11(9-12-11)8-7-10-5-3-2-4-6-10/h10H,2-9H2,1H3
InChIKey
WPAOTMBKHFUKDS-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylethyl)-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 139.2
[M+Na]+ 191.140628 145.5
[M-H]- 167.144134 146.6
[M+NH4]+ 186.185233 155.3
[M+K]+ 207.114568 146.0
[M+H-H2O]+ 151.148670 133.2
[M+HCOO]- 213.149611 158.2
[M+CH3COO]- 227.165261 182.0
[M+Na-2H]- 189.126076 145.9
[M]+ 168.15086142 139.2
[M]- 168.15195858 139.2
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

No patent data available for this compound.