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 147.3
[M+Na]+ 235.09408 154.4
[M-H]- 211.09758 151.5
[M+NH4]+ 230.13868 161.0
[M+K]+ 251.06802 153.0
[M+H-H2O]+ 195.10212 141.3
[M+HCOO]- 257.10306 167.5
[M+CH3COO]- 271.11871 191.7
[M+Na-2H]- 233.07953 147.8
[M]+ 212.10431 152.8
[M]- 212.10541 152.8
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.