CID 2771615

Methyl 4-(furan-2-yl)-2,4-dioxobutanoate

Structural Information

Molecular Formula
C9H8O5
SMILES
COC(=O)C(=O)CC(=O)C1=CC=CO1
InChI
InChI=1S/C9H8O5/c1-13-9(12)7(11)5-6(10)8-3-2-4-14-8/h2-4H,5H2,1H3
InChIKey
LVRDBRKWPFVTRN-UHFFFAOYSA-N
Compound name
methyl 4-(furan-2-yl)-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

196.03717 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 138.8
[M+Na]+ 219.02639 146.0
[M-H]- 195.02989 143.2
[M+NH4]+ 214.07099 158.0
[M+K]+ 235.00033 147.4
[M+H-H2O]+ 179.03443 133.4
[M+HCOO]- 241.03537 161.8
[M+CH3COO]- 255.05102 180.9
[M+Na-2H]- 217.01184 142.2
[M]+ 196.03662 143.1
[M]- 196.03772 143.1
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