CID 8914

1-nonanol

Structural Information

Molecular Formula

C₉H₂₀O

SMILES

CCCCCCCCCO

InChI

InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3

InChIKey

ZWRUINPWMLAQRD-UHFFFAOYSA-N

Compound name

nonan-1-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 826
References: 110577
Patents: 144.15141 Da
Monoisotopic Mass: 4.3
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]+	145.158686	136.4
[M+Na]+	167.140628	141.9
[M-H]-	143.144134	134.7
[M+NH4]+	162.185233	157.5
[M+K]+	183.114568	140.6
[M+H-H2O]+	127.148670	131.7
[M+HCOO]-	189.149611	157.9
[M+CH3COO]-	203.165261	175.7
[M+Na-2H]-	165.126076	141.4
[M]+	144.15086142	138.3
[M]-	144.15195858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe