CID 95392

6290-17-1

Structural Information

Molecular Formula
C9H16O4
SMILES
CCOC(=O)CC1(OCC(O1)C)C
InChI
InChI=1S/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3
InChIKey
GSIXJEIRJVOUFB-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

402
Patents

188.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 139.2
[M+Na]+ 211.094078 146.3
[M-H]- 187.097584 143.9
[M+NH4]+ 206.138683 160.1
[M+K]+ 227.068018 148.9
[M+H-H2O]+ 171.102120 135.4
[M+HCOO]- 233.103061 159.7
[M+CH3COO]- 247.118711 180.4
[M+Na-2H]- 209.079526 144.8
[M]+ 188.10431142 143.2
[M]- 188.10540858 143.2
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