CID 910866

2-(2-cyclohexylethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H20O2
SMILES
C1CCC(CC1)CCC2OCCO2
InChI
InChI=1S/C11H20O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h10-11H,1-9H2
InChIKey
VHRVDEZBJOARMF-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 143.2
[M+Na]+ 207.135548 145.9
[M-H]- 183.139054 149.3
[M+NH4]+ 202.180153 161.4
[M+K]+ 223.109488 146.8
[M+H-H2O]+ 167.143590 137.1
[M+HCOO]- 229.144531 160.6
[M+CH3COO]- 243.160181 178.9
[M+Na-2H]- 205.120996 147.0
[M]+ 184.14578142 138.8
[M]- 184.14687858 138.8
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