CID 228584

Methyl 3-(furan-2-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C8H8O4
SMILES
COC(=O)CC(=O)C1=CC=CO1
InChI
InChI=1S/C8H8O4/c1-11-8(10)5-6(9)7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKey
YGTDKZHHEPVYGJ-UHFFFAOYSA-N
Compound name
methyl 3-(furan-2-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

168.04225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.4
[M+Na]+ 191.03147 140.2
[M-H]- 167.03497 136.9
[M+NH4]+ 186.07607 153.1
[M+K]+ 207.00541 141.4
[M+H-H2O]+ 151.03951 127.3
[M+HCOO]- 213.04045 156.5
[M+CH3COO]- 227.05610 175.7
[M+Na-2H]- 189.01692 137.5
[M]+ 168.04170 136.3
[M]- 168.04280 136.3
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

No patent data available for this compound.