CID 273065

1-(5-ethylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C8H10O2
SMILES
CCC1=CC=C(O1)C(=O)C
InChI
InChI=1S/C8H10O2/c1-3-7-4-5-8(10-7)6(2)9/h4-5H,3H2,1-2H3
InChIKey
XTEXFYLWOKPGFE-UHFFFAOYSA-N
Compound name
1-(5-ethylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

138.06808 Da
Monoisotopic Mass

1.8
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

patents stripe