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]+ 213.112136 147.6
[M+Na]+ 235.094078 151.6
[M-H]- 211.097584 150.6
[M+NH4]+ 230.138683 159.5
[M+K]+ 251.068018 154.8
[M+H-H2O]+ 195.102120 136.8
[M+HCOO]- 257.103061 166.4
[M+CH3COO]- 271.118711 191.8
[M+Na-2H]- 233.079526 147.3
[M]+ 212.10431142 158.3
[M]- 212.10540858 158.3
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.