CID 86068

16807-50-4

Structural Information

Molecular Formula
C9H14O4
SMILES
CCOC(=O)CC1(CCC(=O)O1)C
InChI
InChI=1S/C9H14O4/c1-3-12-8(11)6-9(2)5-4-7(10)13-9/h3-6H2,1-2H3
InChIKey
XPHDAEADNYTVAU-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 137.7
[M+Na]+ 209.078418 145.1
[M-H]- 185.081924 141.9
[M+NH4]+ 204.123023 160.0
[M+K]+ 225.052358 146.2
[M+H-H2O]+ 169.086460 133.8
[M+HCOO]- 231.087401 159.5
[M+CH3COO]- 245.103051 179.4
[M+Na-2H]- 207.063866 142.4
[M]+ 186.08865142 140.5
[M]- 186.08974858 140.5
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

patents stripe