CID 181250

2-pentadecylfuran

Structural Information

Molecular Formula
C19H34O
SMILES
CCCCCCCCCCCCCCCC1=CC=CO1
InChI
InChI=1S/C19H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20-19/h15,17-18H,2-14,16H2,1H3
InChIKey
LSVQFJUSRLOULU-UHFFFAOYSA-N
Compound name
2-pentadecylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

278.26096 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.26824 176.5
[M+Na]+ 301.25018 179.6
[M-H]- 277.25368 178.5
[M+NH4]+ 296.29478 193.1
[M+K]+ 317.22412 176.7
[M+H-H2O]+ 261.25822 169.2
[M+HCOO]- 323.25916 197.6
[M+CH3COO]- 337.27481 203.6
[M+Na-2H]- 299.23563 177.7
[M]+ 278.26041 182.7
[M]- 278.26151 182.7
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