CID 32935

3-octene

Structural Information

Molecular Formula
C8H16
SMILES
CCCCC=CCC
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3
InChIKey
YCTDZYMMFQCTEO-UHFFFAOYSA-N
Compound name
oct-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

16780
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 132.9
[M-H]- 111.11792 126.2
[M+NH4]+ 130.15902 149.3
[M+K]+ 151.08836 131.8
[M+H-H2O]+ 95.122460 121.9
[M+HCOO]- 157.12340 149.5
[M+CH3COO]- 171.13905 171.9
[M+Na-2H]- 133.09987 132.4
[M]+ 112.12465 127.4
[M]- 112.12575 127.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.