CID 8125

1-octene

Structural Information

Molecular Formula
C8H16
SMILES
CCCCCCC=C
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKey
KWKAKUADMBZCLK-UHFFFAOYSA-N
Compound name
oct-1-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

220
References

65067
Patents

112.1252 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.0
[M+Na]+ 135.11442 137.2
[M+NH4]+ 130.15902 134.9
[M+K]+ 151.08836 129.7
[M-H]- 111.11792 126.5
[M+Na-2H]- 133.09987 130.7
[M]+ 112.12465 127.6
[M]- 112.12575 127.6
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