CID 175122

72727-57-2

Structural Information

Molecular Formula
C13H24O4
SMILES
CCCCCC(C(=O)OCC)C1(OCCO1)C
InChI
InChI=1S/C13H24O4/c1-4-6-7-8-11(12(14)15-5-2)13(3)16-9-10-17-13/h11H,4-10H2,1-3H3
InChIKey
AHEPPWIHINNDTF-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)heptanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

244.16747 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17475 158.8
[M+Na]+ 267.15669 166.4
[M+NH4]+ 262.20129 166.3
[M+K]+ 283.13063 162.6
[M-H]- 243.16019 160.5
[M+Na-2H]- 265.14214 160.8
[M]+ 244.16692 160.2
[M]- 244.16802 160.2
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

No patent data available for this compound.