CID 18936

1-eicosene

Structural Information

Molecular Formula
C20H40
SMILES
CCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3
InChIKey
VAMFXQBUQXONLZ-UHFFFAOYSA-N
Compound name
icos-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

56138
Patents

280.313 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.32028 180.6
[M+Na]+ 303.30222 182.3
[M-H]- 279.30572 178.3
[M+NH4]+ 298.34682 196.9
[M+K]+ 319.27616 177.8
[M+H-H2O]+ 263.31026 173.8
[M+HCOO]- 325.31120 199.9
[M+CH3COO]- 339.32685 208.8
[M+Na-2H]- 301.28767 180.2
[M]+ 280.31245 186.5
[M]- 280.31355 186.5
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