CID 58119732

Ethyl 4-methoxy-3-oxopentanoate

Structural Information

Molecular Formula
C8H14O4
SMILES
CCOC(=O)CC(=O)C(C)OC
InChI
InChI=1S/C8H14O4/c1-4-12-8(10)5-7(9)6(2)11-3/h6H,4-5H2,1-3H3
InChIKey
QQMFFEQHVIIFDL-UHFFFAOYSA-N
Compound name
ethyl 4-methoxy-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

174.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 137.2
[M+Na]+ 197.07842 143.5
[M-H]- 173.08192 137.4
[M+NH4]+ 192.12302 157.4
[M+K]+ 213.05236 144.9
[M+H-H2O]+ 157.08646 132.3
[M+HCOO]- 219.08740 158.8
[M+CH3COO]- 233.10305 181.2
[M+Na-2H]- 195.06387 139.6
[M]+ 174.08865 141.7
[M]- 174.08975 141.7
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