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

184
Patents

140.04735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 125.4
[M+Na]+ 163.03657 133.6
[M-H]- 139.04007 129.9
[M+NH4]+ 158.08117 147.4
[M+K]+ 179.01051 134.7
[M+H-H2O]+ 123.04461 120.5
[M+HCOO]- 185.04555 150.4
[M+CH3COO]- 199.06120 171.3
[M+Na-2H]- 161.02202 132.3
[M]+ 140.04680 128.9
[M]- 140.04790 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