CID 69522

2-aminooctanoic acid

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCCCCC(C(=O)O)N

InChI

InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

InChIKey

AKVBCGQVQXPRLD-UHFFFAOYSA-N

Compound name

2-aminooctanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 6044
Patents: 159.12593 Da
Monoisotopic Mass: -0.5
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]+	160.13321	139.0
[M+Na]+	182.11515	143.8
[M-H]-	158.11865	137.0
[M+NH4]+	177.15975	158.5
[M+K]+	198.08909	143.0
[M+H-H2O]+	142.12319	133.8
[M+HCOO]-	204.12413	159.6
[M+CH3COO]-	218.13978	179.5
[M+Na-2H]-	180.10060	140.9
[M]+	159.12538	138.0
[M]-	159.12648	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe