CID 70332

Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate

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
3
Annotation Hits

0
References

73
Patents

188.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 140.3
[M+Na]+ 211.094078 146.5
[M-H]- 187.097584 144.6
[M+NH4]+ 206.138683 160.9
[M+K]+ 227.068018 149.0
[M+H-H2O]+ 171.102120 136.1
[M+HCOO]- 233.103061 160.8
[M+CH3COO]- 247.118711 179.2
[M+Na-2H]- 209.079526 146.4
[M]+ 188.10431142 143.9
[M]- 188.10540858 143.9
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