CID 72698274

Ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)C1COC(C1=O)(C)C
InChI
InChI=1S/C9H14O4/c1-4-12-8(11)6-5-13-9(2,3)7(6)10/h6H,4-5H2,1-3H3
InChIKey
VPVPKYZTNBWITG-UHFFFAOYSA-N
Compound name
ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 136.2
[M+Na]+ 209.078418 144.6
[M-H]- 185.081924 140.8
[M+NH4]+ 204.123023 158.8
[M+K]+ 225.052358 145.6
[M+H-H2O]+ 169.086460 132.7
[M+HCOO]- 231.087401 158.0
[M+CH3COO]- 245.103051 180.6
[M+Na-2H]- 207.063866 140.5
[M]+ 186.08865142 139.4
[M]- 186.08974858 139.4
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.