CID 5362833

Trans,cis-2,6-nonadien-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
CC/C=C\CC/C=C/CO
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7+
InChIKey
AMXYRHBJZOVHOL-ODYTWBPASA-N
Compound name
(2E,6Z)-nona-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

4732
Patents

140.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 133.7
[M+Na]+ 163.10934 143.8
[M+NH4]+ 158.15394 141.2
[M+K]+ 179.08328 136.8
[M-H]- 139.11284 132.8
[M+Na-2H]- 161.09479 136.8
[M]+ 140.11957 134.6
[M]- 140.12067 134.6
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