CID 85638718

Ethyl 2-methyl-4-oxooxane-2-carboxylate

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)C1(CC(=O)CCO1)C
InChI
InChI=1S/C9H14O4/c1-3-12-8(11)9(2)6-7(10)4-5-13-9/h3-6H2,1-2H3
InChIKey
YOSUXZMORGKTAZ-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-4-oxooxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 139.6
[M+Na]+ 209.07842 149.6
[M+NH4]+ 204.12302 148.1
[M+K]+ 225.05236 143.7
[M-H]- 185.08192 141.1
[M+Na-2H]- 207.06387 144.3
[M]+ 186.08865 141.4
[M]- 186.08975 141.4
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.