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]+ 199.09648 143.3
[M+Na]+ 221.07842 149.8
[M-H]- 197.08192 147.3
[M+NH4]+ 216.12302 162.7
[M+K]+ 237.05236 151.1
[M+H-H2O]+ 181.08646 137.5
[M+HCOO]- 243.08740 166.4
[M+CH3COO]- 257.10305 183.3
[M+Na-2H]- 219.06387 147.2
[M]+ 198.08865 148.6
[M]- 198.08975 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.