CID 95572

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

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCCCCCCC1OCC(O1)C
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3
InChIKey
AGNUIQKIUPCFET-UHFFFAOYSA-N
Compound name
4-methyl-2-octyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

73
Patents

200.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 150.8
[M+Na]+ 223.16685 155.8
[M-H]- 199.17035 154.4
[M+NH4]+ 218.21145 169.4
[M+K]+ 239.14079 156.5
[M+H-H2O]+ 183.17489 145.4
[M+HCOO]- 245.17583 170.6
[M+CH3COO]- 259.19148 186.4
[M+Na-2H]- 221.15230 154.3
[M]+ 200.17708 154.0
[M]- 200.17818 154.0
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

patents stripe