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

4
Annotation Hits: 2
References: 711
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe