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

7647
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 124.4
[M+Na]+ 133.09877 131.5
[M-H]- 109.10227 124.6
[M+NH4]+ 128.14337 147.6
[M+K]+ 149.07271 129.8
[M+H-H2O]+ 93.106810 120.3
[M+HCOO]- 155.10775 148.0
[M+CH3COO]- 169.12340 171.0
[M+Na-2H]- 131.08422 130.8
[M]+ 110.10900 125.0
[M]- 110.11010 125.0
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