CID 89560

1-nonen-3-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CCCCCCC(C=C)O

InChI

InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3

InChIKey

DWUPJMHAPOQKGJ-UHFFFAOYSA-N

Compound name

non-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 489
Patents: 142.13577 Da
Monoisotopic Mass: 3.1
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]+	143.143046	135.3
[M+Na]+	165.124988	141.0
[M-H]-	141.128494	133.8
[M+NH4]+	160.169593	156.4
[M+K]+	181.098928	139.4
[M+H-H2O]+	125.133030	130.8
[M+HCOO]-	187.133971	156.1
[M+CH3COO]-	201.149621	175.5
[M+Na-2H]-	163.110436	139.1
[M]+	142.13522142	135.9
[M]-	142.13631858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe