CID 44630408

Trans,cis-3,6-nonadien-1-ol

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

2
References

729
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 133.6
[M+Na]+ 163.10934 139.9
[M-H]- 139.11284 132.1
[M+NH4]+ 158.15394 154.8
[M+K]+ 179.08328 137.3
[M+H-H2O]+ 123.11738 129.2
[M+HCOO]- 185.11832 155.6
[M+CH3COO]- 199.13397 172.4
[M+Na-2H]- 161.09479 138.7
[M]+ 140.11957 134.0
[M]- 140.12067 134.0
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

No patent data available for this compound.