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 137.3
[M+Na]+ 209.07842 143.9
[M-H]- 185.08192 141.4
[M+NH4]+ 204.12302 157.8
[M+K]+ 225.05236 145.3
[M+H-H2O]+ 169.08646 132.8
[M+HCOO]- 231.08740 157.0
[M+CH3COO]- 245.10305 179.7
[M+Na-2H]- 207.06387 143.2
[M]+ 186.08865 138.1
[M]- 186.08975 138.1
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.