CID 14001116

115399-62-7

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)C1C(=O)CCC(O1)C
InChI
InChI=1S/C9H14O4/c1-3-12-9(11)8-7(10)5-4-6(2)13-8/h6,8H,3-5H2,1-2H3
InChIKey
YPMHVDUQUVBHFH-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-3-oxooxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 137.8
[M+Na]+ 209.078418 144.3
[M-H]- 185.081924 141.8
[M+NH4]+ 204.123023 156.4
[M+K]+ 225.052358 145.4
[M+H-H2O]+ 169.086460 132.4
[M+HCOO]- 231.087401 157.4
[M+CH3COO]- 245.103051 181.4
[M+Na-2H]- 207.063866 141.7
[M]+ 186.08865142 138.6
[M]- 186.08974858 138.6
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.