CID 125511680

2-(4-ethynylcyclohexyl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H16O2
SMILES
C#CC1CCC(CC1)C2OCCO2
InChI
InChI=1S/C11H16O2/c1-2-9-3-5-10(6-4-9)11-12-7-8-13-11/h1,9-11H,3-8H2
InChIKey
PBZXXFZDHVBOEK-UHFFFAOYSA-N
Compound name
2-(4-ethynylcyclohexyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 135.3
[M+Na]+ 203.10426 143.1
[M-H]- 179.10776 139.9
[M+NH4]+ 198.14886 152.0
[M+K]+ 219.07820 140.4
[M+H-H2O]+ 163.11230 123.6
[M+HCOO]- 225.11324 148.0
[M+CH3COO]- 239.12889 186.8
[M+Na-2H]- 201.08971 138.6
[M]+ 180.11449 126.2
[M]- 180.11559 126.2
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.