CID 82651132

1-(3-ethylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C8H10O2
SMILES
CCC1=C(OC=C1)C(=O)C
InChI
InChI=1S/C8H10O2/c1-3-7-4-5-10-8(7)6(2)9/h4-5H,3H2,1-2H3
InChIKey
RCVONMWCFBYGKP-UHFFFAOYSA-N
Compound name
1-(3-ethylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

138.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 126.3
[M+Na]+ 161.05730 135.1
[M-H]- 137.06080 131.1
[M+NH4]+ 156.10190 148.8
[M+K]+ 177.03124 135.5
[M+H-H2O]+ 121.06534 121.7
[M+HCOO]- 183.06628 150.7
[M+CH3COO]- 197.08193 173.4
[M+Na-2H]- 159.04275 132.0
[M]+ 138.06753 129.1
[M]- 138.06863 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.