CID 68624281

Ethyl 4-cyclobutyl-2,4-dioxobutanoate

Structural Information

Molecular Formula
C10H14O4
SMILES
CCOC(=O)C(=O)CC(=O)C1CCC1
InChI
InChI=1S/C10H14O4/c1-2-14-10(13)9(12)6-8(11)7-4-3-5-7/h7H,2-6H2,1H3
InChIKey
QHIAUQJBVQTXSM-UHFFFAOYSA-N
Compound name
ethyl 4-cyclobutyl-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

198.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 143.6
[M+Na]+ 221.078418 147.1
[M-H]- 197.081924 146.4
[M+NH4]+ 216.123023 155.7
[M+K]+ 237.052358 150.5
[M+H-H2O]+ 181.086460 132.7
[M+HCOO]- 243.087401 162.7
[M+CH3COO]- 257.103051 187.7
[M+Na-2H]- 219.063866 144.5
[M]+ 198.08865142 153.5
[M]- 198.08974858 153.5
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