CID 137698583

Ethyl 2-acetyl-4-cyclopropyl-4-oxobutanoate

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C(CC(=O)C1CC1)C(=O)C
InChI
InChI=1S/C11H16O4/c1-3-15-11(14)9(7(2)12)6-10(13)8-4-5-8/h8-9H,3-6H2,1-2H3
InChIKey
BGXKYGJIIHLFPM-UHFFFAOYSA-N
Compound name
ethyl 2-acetyl-4-cyclopropyl-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 148.0
[M+Na]+ 235.09408 157.2
[M+NH4]+ 230.13868 154.1
[M+K]+ 251.06802 155.7
[M-H]- 211.09758 153.2
[M+Na-2H]- 233.07953 152.2
[M]+ 212.10431 151.4
[M]- 212.10541 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

No patent data available for this compound.