CID 21765727

Ethyl 5-methoxy-3-oxopentanoate

Structural Information

Molecular Formula
C8H14O4
SMILES
CCOC(=O)CC(=O)CCOC
InChI
InChI=1S/C8H14O4/c1-3-12-8(10)6-7(9)4-5-11-2/h3-6H2,1-2H3
InChIKey
HDTMYNBYBPPREL-UHFFFAOYSA-N
Compound name
ethyl 5-methoxy-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

174.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.096476 137.2
[M+Na]+ 197.078418 143.8
[M-H]- 173.081924 137.3
[M+NH4]+ 192.123023 157.5
[M+K]+ 213.052358 144.7
[M+H-H2O]+ 157.086460 132.2
[M+HCOO]- 219.087401 159.8
[M+CH3COO]- 233.103051 180.4
[M+Na-2H]- 195.063866 140.9
[M]+ 174.08865142 142.4
[M]- 174.08974858 142.4
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