CID 2759572

130611-26-6

Structural Information

Molecular Formula
C9H16O5
SMILES
CCOC(=O)CC(=O)COCCOC
InChI
InChI=1S/C9H16O5/c1-3-14-9(11)6-8(10)7-13-5-4-12-2/h3-7H2,1-2H3
InChIKey
SYFJNNYHOIAJFL-UHFFFAOYSA-N
Compound name
ethyl 4-(2-methoxyethoxy)-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

204.09978 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10706 144.4
[M+Na]+ 227.08900 150.4
[M-H]- 203.09250 144.3
[M+NH4]+ 222.13360 163.3
[M+K]+ 243.06294 151.6
[M+H-H2O]+ 187.09704 138.9
[M+HCOO]- 249.09798 166.9
[M+CH3COO]- 263.11363 185.4
[M+Na-2H]- 225.07445 147.6
[M]+ 204.09923 151.4
[M]- 204.10033 151.4
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

patents stripe