CID 221634

5413-49-0

Structural Information

Molecular Formula
C10H18O4
SMILES
CCOC(=O)CCC1(OCC(O1)C)C
InChI
InChI=1S/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3
InChIKey
IAZAUEBWBHMDGV-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

67
Patents

202.12051 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 143.9
[M+Na]+ 225.109728 150.6
[M-H]- 201.113234 148.5
[M+NH4]+ 220.154333 164.3
[M+K]+ 241.083668 152.9
[M+H-H2O]+ 185.117770 139.9
[M+HCOO]- 247.118711 164.1
[M+CH3COO]- 261.134361 183.4
[M+Na-2H]- 223.095176 149.0
[M]+ 202.11996142 148.3
[M]- 202.12105858 148.3
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