CID 175122

Einecs 276-790-8

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 159.8
[M+Na]+ 267.15669 164.1
[M-H]- 243.16019 163.5
[M+NH4]+ 262.20129 178.1
[M+K]+ 283.13063 166.1
[M+H-H2O]+ 227.16473 155.1
[M+HCOO]- 289.16567 178.0
[M+CH3COO]- 303.18132 192.1
[M+Na-2H]- 265.14214 162.5
[M]+ 244.16692 164.2
[M]- 244.16802 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

No patent data available for this compound.