CID 92468132

2,5-octadien-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CC/C=C/C/C=C\CO
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,6-7,9H,2,5,8H2,1H3/b4-3+,7-6-
InChIKey
INXWZSVGTHMNEU-FDTUMDBZSA-N
Compound name
(2Z,5E)-octa-2,5-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 129.3
[M+Na]+ 149.09368 139.6
[M+NH4]+ 144.13828 137.0
[M+K]+ 165.06762 132.8
[M-H]- 125.09718 128.4
[M+Na-2H]- 147.07913 132.7
[M]+ 126.10391 130.2
[M]- 126.10501 130.2
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

No patent data available for this compound.