CID 18554

2-ethylfuran

Structural Information

Molecular Formula
C6H8O
SMILES
CCC1=CC=CO1
InChI
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKey
HLPIHRDZBHXTFJ-UHFFFAOYSA-N
Compound name
2-ethylfuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

9191
Patents

96.05752 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 115.0
[M+Na]+ 119.04674 123.7
[M-H]- 95.050244 119.6
[M+NH4]+ 114.09134 139.0
[M+K]+ 135.02068 124.4
[M+H-H2O]+ 79.054780 110.5
[M+HCOO]- 141.05572 140.6
[M+CH3COO]- 155.07137 164.4
[M+Na-2H]- 117.03219 123.7
[M]+ 96.056971 116.6
[M]- 96.058069 116.6
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