CID 13699526

1-(furan-2-yl)-2-methoxyethan-1-one

Structural Information

Molecular Formula
C7H8O3
SMILES
COCC(=O)C1=CC=CO1
InChI
InChI=1S/C7H8O3/c1-9-5-6(8)7-3-2-4-10-7/h2-4H,5H2,1H3
InChIKey
SMOYZKAGAFPQAU-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

140.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 125.4
[M+Na]+ 163.036568 133.6
[M-H]- 139.040074 129.9
[M+NH4]+ 158.081173 147.4
[M+K]+ 179.010508 134.7
[M+H-H2O]+ 123.044610 120.5
[M+HCOO]- 185.045551 150.4
[M+CH3COO]- 199.061201 171.3
[M+Na-2H]- 161.022016 132.3
[M]+ 140.04680142 128.9
[M]- 140.04789858 128.9
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