CID 79495346

2,2-diethoxy-1-(furan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C10H14O4
SMILES
CCOC(C(=O)C1=CC=CO1)OCC
InChI
InChI=1S/C10H14O4/c1-3-12-10(13-4-2)9(11)8-6-5-7-14-8/h5-7,10H,3-4H2,1-2H3
InChIKey
KMFLPRWDUNXRIP-UHFFFAOYSA-N
Compound name
2,2-diethoxy-1-(furan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 143.3
[M+Na]+ 221.078418 149.8
[M-H]- 197.081924 147.3
[M+NH4]+ 216.123023 162.7
[M+K]+ 237.052358 151.1
[M+H-H2O]+ 181.086460 137.5
[M+HCOO]- 243.087401 166.4
[M+CH3COO]- 257.103051 183.3
[M+Na-2H]- 219.063866 147.2
[M]+ 198.08865142 148.6
[M]- 198.08974858 148.6
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

No patent data available for this compound.