CID 70332

941-43-5

Structural Information

Molecular Formula
C9H16O4
SMILES
CCOC(=O)CCC1(OCCO1)C
InChI
InChI=1S/C9H16O4/c1-3-11-8(10)4-5-9(2)12-6-7-13-9/h3-7H2,1-2H3
InChIKey
PLUNGZQWVYCJBJ-UHFFFAOYSA-N
Compound name
ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

188.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 141.1
[M+Na]+ 211.09408 149.8
[M+NH4]+ 206.13868 149.4
[M+K]+ 227.06802 146.2
[M-H]- 187.09758 143.2
[M+Na-2H]- 209.07953 144.5
[M]+ 188.10431 142.8
[M]- 188.10541 142.8
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