CID 119088415

1-(5-ethylfuran-3-yl)ethan-1-one

Structural Information

Molecular Formula
C8H10O2
SMILES
CCC1=CC(=CO1)C(=O)C
InChI
InChI=1S/C8H10O2/c1-3-8-4-7(5-10-8)6(2)9/h4-5H,3H2,1-2H3
InChIKey
MFVXXMJNIGWTAA-UHFFFAOYSA-N
Compound name
1-(5-ethylfuran-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 126.3
[M+Na]+ 161.057298 135.1
[M-H]- 137.060804 131.1
[M+NH4]+ 156.101903 148.8
[M+K]+ 177.031238 135.5
[M+H-H2O]+ 121.065340 121.7
[M+HCOO]- 183.066281 150.7
[M+CH3COO]- 197.081931 173.4
[M+Na-2H]- 159.042746 132.0
[M]+ 138.06753142 129.1
[M]- 138.06862858 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.