CID 20534

2-butylfuran

Structural Information

Molecular Formula
C8H12O
SMILES
CCCCC1=CC=CO1
InChI
InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChIKey
NWZIYQNUCXUJJJ-UHFFFAOYSA-N
Compound name
2-butylfuran
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

1017
Patents

124.08881 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.6
[M+Na]+ 147.07803 132.5
[M-H]- 123.08153 128.8
[M+NH4]+ 142.12263 147.5
[M+K]+ 163.05197 132.6
[M+H-H2O]+ 107.08607 119.7
[M+HCOO]- 169.08701 149.6
[M+CH3COO]- 183.10266 170.5
[M+Na-2H]- 145.06348 132.2
[M]+ 124.08826 126.9
[M]- 124.08936 126.9
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