CID 112657

Nonadien-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCC=CC=CCCO

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h4-7,10H,2-3,8-9H2,1H3

InChIKey

DNCPZJXUBYQFED-UHFFFAOYSA-N

Compound name

nona-3,5-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16
Patents: 140.12012 Da
Monoisotopic Mass: 2.5
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	133.6
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe