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]+ 187.09648 136.2
[M+Na]+ 209.07842 144.6
[M-H]- 185.08192 140.8
[M+NH4]+ 204.12302 158.8
[M+K]+ 225.05236 145.6
[M+H-H2O]+ 169.08646 132.7
[M+HCOO]- 231.08740 158.0
[M+CH3COO]- 245.10305 180.6
[M+Na-2H]- 207.06387 140.5
[M]+ 186.08865 139.4
[M]- 186.08975 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.