CID 2771615

374063-90-8

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

47
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 139.9
[M+Na]+ 219.02639 148.8
[M+NH4]+ 214.07099 145.5
[M+K]+ 235.00033 148.2
[M-H]- 195.02989 139.6
[M+Na-2H]- 217.01184 142.5
[M]+ 196.03662 140.6
[M]- 196.03772 140.6
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