CID 19835

1,9-nonanediol

Structural Information

Molecular Formula

C₉H₂₀O₂

SMILES

C(CCCCO)CCCCO

InChI

InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

InChIKey

ALVZNPYWJMLXKV-UHFFFAOYSA-N

Compound name

nonane-1,9-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 88696
Patents: 160.14633 Da
Monoisotopic Mass: 2.2
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]+	161.15361	140.0
[M+Na]+	183.13555	145.1
[M-H]-	159.13905	136.9
[M+NH4]+	178.18015	159.7
[M+K]+	199.10949	143.2
[M+H-H2O]+	143.14359	135.3
[M+HCOO]-	205.14453	160.3
[M+CH3COO]-	219.16018	174.9
[M+Na-2H]-	181.12100	144.4
[M]+	160.14578	141.5
[M]-	160.14688	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe