CID 16227056

Methyl 4-cyclopropyl-2,4-dioxobutanoate

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)C(=O)CC(=O)C1CC1
InChI
InChI=1S/C8H10O4/c1-12-8(11)7(10)4-6(9)5-2-3-5/h5H,2-4H2,1H3
InChIKey
MFRDTCKJOFHQDZ-UHFFFAOYSA-N
Compound name
methyl 4-cyclopropyl-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

170.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 135.3
[M+Na]+ 193.047118 143.8
[M-H]- 169.050624 140.0
[M+NH4]+ 188.091723 150.6
[M+K]+ 209.021058 142.7
[M+H-H2O]+ 153.055160 129.6
[M+HCOO]- 215.056101 157.3
[M+CH3COO]- 229.071751 182.2
[M+Na-2H]- 191.032566 138.3
[M]+ 170.05735142 140.3
[M]- 170.05844858 140.3
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

patents stripe