CID 35860

8-nonenoic acid

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C=CCCCCCCC(=O)O

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h2H,1,3-8H2,(H,10,11)

InChIKey

AWQOXJOAQMCOED-UHFFFAOYSA-N

Compound name

non-8-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1474
Patents: 156.11504 Da
Monoisotopic Mass: 2.8
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]+	157.12232	136.7
[M+Na]+	179.10426	142.7
[M-H]-	155.10776	135.2
[M+NH4]+	174.14886	157.1
[M+K]+	195.07820	140.9
[M+H-H2O]+	139.11230	132.1
[M+HCOO]-	201.11324	158.0
[M+CH3COO]-	215.12889	176.5
[M+Na-2H]-	177.08971	140.5
[M]+	156.11449	138.1
[M]-	156.11559	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe