CID 20357

2-hexyl-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCC1OCC(O1)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3
InChIKey
GFNFPBSXMBRHRU-UHFFFAOYSA-N
Compound name
2-hexyl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

176
Patents

172.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 139.8
[M+Na]+ 195.13555 149.9
[M+NH4]+ 190.18015 148.1
[M+K]+ 211.10949 146.1
[M-H]- 171.13905 143.6
[M+Na-2H]- 193.12100 142.6
[M]+ 172.14578 142.2
[M]- 172.14688 142.2
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

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