CID 129518409

Ethyl 4-(3-methylcyclobutyl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C11H16O4
SMILES
CCOC(=O)C(=O)CC(=O)C1CC(C1)C
InChI
InChI=1S/C11H16O4/c1-3-15-11(14)10(13)6-9(12)8-4-7(2)5-8/h7-8H,3-6H2,1-2H3
InChIKey
YXFFYUALJNSGMP-UHFFFAOYSA-N
Compound name
ethyl 4-(3-methylcyclobutyl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 151.6
[M+Na]+ 235.09408 155.3
[M+NH4]+ 230.13868 153.3
[M+K]+ 251.06802 153.8
[M-H]- 211.09758 147.4
[M+Na-2H]- 233.07953 150.4
[M]+ 212.10431 149.3
[M]- 212.10541 149.3
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.