CID 638228

Trans-3-octene

Structural Information

Molecular Formula
C8H16
SMILES
CCCC/C=C/CC
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
InChIKey
YCTDZYMMFQCTEO-FNORWQNLSA-N
Compound name
(E)-oct-3-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

11436
Patents

112.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.1
[M+Na]+ 135.11442 137.4
[M+NH4]+ 130.15902 135.0
[M+K]+ 151.08836 129.9
[M-H]- 111.11792 126.6
[M+Na-2H]- 133.09987 130.8
[M]+ 112.12465 127.8
[M]- 112.12575 127.8
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