CID 77408

2-hexylfuran

Structural Information

Molecular Formula
C10H16O
SMILES
CCCCCCC1=CC=CO1
InChI
InChI=1S/C10H16O/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3
InChIKey
XBLCAKKYMZVLPU-UHFFFAOYSA-N
Compound name
2-hexylfuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1006
Patents

152.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 134.2
[M+Na]+ 175.10934 141.2
[M-H]- 151.11284 138.0
[M+NH4]+ 170.15394 156.0
[M+K]+ 191.08328 140.8
[M+H-H2O]+ 135.11738 128.9
[M+HCOO]- 197.11832 158.5
[M+CH3COO]- 211.13397 176.5
[M+Na-2H]- 173.09479 140.6
[M]+ 152.11957 137.2
[M]- 152.12067 137.2
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