CID 2195180

3r-aminononanoic acid

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCCCCC[C@H](CC(=O)O)N

InChI

InChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m1/s1

InChIKey

JSJXIPXCQNHXJA-MRVPVSSYSA-N

Compound name

(3R)-3-aminononanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.14159 Da
Monoisotopic Mass: -0.6
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]+	174.14887	143.5
[M+Na]+	196.13081	148.0
[M-H]-	172.13431	141.4
[M+NH4]+	191.17541	162.5
[M+K]+	212.10475	146.9
[M+H-H2O]+	156.13885	138.2
[M+HCOO]-	218.13979	163.9
[M+CH3COO]-	232.15544	182.5
[M+Na-2H]-	194.11626	144.9
[M]+	173.14104	143.0
[M]-	173.14214	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.