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

63
Patents

174.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 137.2
[M+Na]+ 197.07842 143.8
[M-H]- 173.08192 137.3
[M+NH4]+ 192.12302 157.5
[M+K]+ 213.05236 144.7
[M+H-H2O]+ 157.08646 132.2
[M+HCOO]- 219.08740 159.8
[M+CH3COO]- 233.10305 180.4
[M+Na-2H]- 195.06387 140.9
[M]+ 174.08865 142.4
[M]- 174.08975 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