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

56
Patents

228.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.21620 160.2
[M+Na]+ 251.19814 164.3
[M-H]- 227.20164 163.5
[M+NH4]+ 246.24274 177.7
[M+K]+ 267.17208 164.5
[M+H-H2O]+ 211.20618 154.4
[M+HCOO]- 273.20712 179.4
[M+CH3COO]- 287.22277 192.5
[M+Na-2H]- 249.18359 162.6
[M]+ 228.20837 164.2
[M]- 228.20947 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