CID 5362817

(6e)-octa-1,6-diene

Structural Information

Molecular Formula
C8H14
SMILES
C/C=C/CCCC=C
InChI
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4,6H,1,5,7-8H2,2H3/b6-4+
InChIKey
RJUCIROUEDJQIB-GQCTYLIASA-N
Compound name
(6E)-octa-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16185
Patents

110.10955 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe