CID 229153

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

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCCCC1OCC(O1)C
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-14-15-12-13(2)16-14/h13-14H,3-12H2,1-2H3
InChIKey
ZOJCTKZSRSUPTO-UHFFFAOYSA-N
Compound name
2-decyl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

34
Patents

228.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 160.2
[M+Na]+ 251.198138 164.3
[M-H]- 227.201644 163.5
[M+NH4]+ 246.242743 177.7
[M+K]+ 267.172078 164.5
[M+H-H2O]+ 211.206180 154.4
[M+HCOO]- 273.207121 179.4
[M+CH3COO]- 287.222771 192.5
[M+Na-2H]- 249.183586 162.6
[M]+ 228.20837142 164.2
[M]- 228.20946858 164.2
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

patents stripe