CID 19602

2-pentylfuran

Structural Information

Molecular Formula
C9H14O
SMILES
CCCCCC1=CC=CO1
InChI
InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey
YVBAUDVGOFCUSG-UHFFFAOYSA-N
Compound name
2-pentylfuran
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

58
References

2912
Patents

138.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 129.4
[M+Na]+ 161.093678 136.8
[M-H]- 137.097184 133.4
[M+NH4]+ 156.138283 151.8
[M+K]+ 177.067618 136.7
[M+H-H2O]+ 121.101720 124.3
[M+HCOO]- 183.102661 154.0
[M+CH3COO]- 197.118311 173.5
[M+Na-2H]- 159.079126 136.4
[M]+ 138.10391142 132.1
[M]- 138.10500858 132.1
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