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

58
Patents

170.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 135.3
[M+Na]+ 193.04712 143.8
[M-H]- 169.05062 140.0
[M+NH4]+ 188.09172 150.6
[M+K]+ 209.02106 142.7
[M+H-H2O]+ 153.05516 129.6
[M+HCOO]- 215.05610 157.3
[M+CH3COO]- 229.07175 182.2
[M+Na-2H]- 191.03257 138.3
[M]+ 170.05735 140.3
[M]- 170.05845 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