CID 8217

1-octadecene

Structural Information

Molecular Formula
C18H36
SMILES
CCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKey
CCCMONHAUSKTEQ-UHFFFAOYSA-N
Compound name
octadec-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

127
References

98390
Patents

252.28171 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.28899 171.6
[M+Na]+ 275.27093 174.2
[M-H]- 251.27443 169.8
[M+NH4]+ 270.31553 189.1
[M+K]+ 291.24487 170.3
[M+H-H2O]+ 235.27897 165.3
[M+HCOO]- 297.27991 191.7
[M+CH3COO]- 311.29556 202.9
[M+Na-2H]- 273.25638 172.4
[M]+ 252.28116 176.9
[M]- 252.28226 176.9
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