CID 123232

Octa-1,4-diene

Structural Information

Molecular Formula
C8H14
SMILES
CCCC=CCC=C
InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,7-8H,1,4-6H2,2H3
InChIKey
HYBLFDUGSBOMPI-UHFFFAOYSA-N
Compound name
octa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6861
Patents

110.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 125.5
[M+Na]+ 133.09877 136.9
[M+NH4]+ 128.14337 134.2
[M+K]+ 149.07271 129.2
[M-H]- 109.10227 125.8
[M+Na-2H]- 131.08422 130.1
[M]+ 110.10900 127.1
[M]- 110.11010 127.1
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

patents stripe