CID 11971393

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

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCCC(C)C1OCCO1
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-13(2)14-15-11-12-16-14/h13-14H,3-12H2,1-2H3
InChIKey
OXVIAYBRQYALJP-UHFFFAOYSA-N
Compound name
2-undecan-2-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
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 161.7
[M+Na]+ 251.198138 164.7
[M-H]- 227.201644 164.7
[M+NH4]+ 246.242743 178.8
[M+K]+ 267.172078 165.3
[M+H-H2O]+ 211.206180 155.7
[M+HCOO]- 273.207121 179.9
[M+CH3COO]- 287.222771 192.1
[M+Na-2H]- 249.183586 163.5
[M]+ 228.20837142 164.6
[M]- 228.20946858 164.6
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.