CID 5368766

(e,e,e)-2,4,6-octatriene

Structural Information

Molecular Formula
C8H12
SMILES
C/C=C/C=C/C=C/C
InChI
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3+,6-4+,8-7+
InChIKey
CGMDPTNRMYIZTM-NKYSMPERSA-N
Compound name
(2E,4E,6E)-octa-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

695
Patents

108.0939 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 123.0
[M+Na]+ 131.08312 130.7
[M-H]- 107.08662 123.4
[M+NH4]+ 126.12772 146.4
[M+K]+ 147.05706 128.4
[M+H-H2O]+ 91.091160 119.1
[M+HCOO]- 153.09210 146.9
[M+CH3COO]- 167.10775 168.6
[M+Na-2H]- 129.06857 129.5
[M]+ 108.09335 122.9
[M]- 108.09445 122.9
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