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
3
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]+ 245.174746 159.8
[M+Na]+ 267.156688 164.1
[M-H]- 243.160194 163.5
[M+NH4]+ 262.201293 178.1
[M+K]+ 283.130628 166.1
[M+H-H2O]+ 227.164730 155.1
[M+HCOO]- 289.165671 178.0
[M+CH3COO]- 303.181321 192.1
[M+Na-2H]- 265.142136 162.5
[M]+ 244.16692142 164.2
[M]- 244.16801858 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.