CID 336409

Ethyl 3-(furan-3-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C9H10O4
SMILES
CCOC(=O)CC(=O)C1=COC=C1
InChI
InChI=1S/C9H10O4/c1-2-13-9(11)5-8(10)7-3-4-12-6-7/h3-4,6H,2,5H2,1H3
InChIKey
OVPIQFGJQAQWAJ-UHFFFAOYSA-N
Compound name
ethyl 3-(furan-3-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

264
Patents

182.0579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 137.3
[M+Na]+ 205.04712 144.6
[M-H]- 181.05062 141.6
[M+NH4]+ 200.09172 157.4
[M+K]+ 221.02106 145.6
[M+H-H2O]+ 165.05516 131.9
[M+HCOO]- 227.05610 161.0
[M+CH3COO]- 241.07175 178.7
[M+Na-2H]- 203.03257 141.8
[M]+ 182.05735 141.5
[M]- 182.05845 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe