CID 5312586

2-nonenoic acid

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCCCCC/C=C/C(=O)O

InChI

InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+

InChIKey

ADLXTJMPCFOTOO-BQYQJAHWSA-N

Compound name

(E)-non-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 4427
Patents: 156.11504 Da
Monoisotopic Mass: 3.2
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]+	157.12232	137.0
[M+Na]+	179.10426	143.0
[M-H]-	155.10776	135.5
[M+NH4]+	174.14886	157.4
[M+K]+	195.07820	141.2
[M+H-H2O]+	139.11230	132.3
[M+HCOO]-	201.11324	158.2
[M+CH3COO]-	215.12889	175.8
[M+Na-2H]-	177.08971	140.7
[M]+	156.11449	138.3
[M]-	156.11559	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe