CID 112492

Nona-2,4-dien-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCC=CC=CCO

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3

InChIKey

NCPWFIVLKCFWSP-UHFFFAOYSA-N

Compound name

nona-2,4-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 738
Patents: 140.12012 Da
Monoisotopic Mass: 2.6
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]+	141.127396	133.6
[M+Na]+	163.109338	139.9
[M-H]-	139.112844	132.1
[M+NH4]+	158.153943	154.8
[M+K]+	179.083278	137.3
[M+H-H2O]+	123.117380	129.2
[M+HCOO]-	185.118321	155.6
[M+CH3COO]-	199.133971	172.4
[M+Na-2H]-	161.094786	138.7
[M]+	140.11957142	134.0
[M]-	140.12066858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe