CID 564

6-aminohexanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C(CCC(=O)O)CCN

InChI

InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

InChIKey

SLXKOJJOQWFEFD-UHFFFAOYSA-N

Compound name

6-aminohexanoic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 2429
References: 75846
Patents: 131.09464 Da
Monoisotopic Mass: -3.0
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]+	132.10192	128.2
[M+Na]+	154.08386	136.3
[M+NH4]+	149.12846	135.0
[M+K]+	170.05780	132.1
[M-H]-	130.08736	126.8
[M+Na-2H]-	152.06931	130.5
[M]+	131.09409	128.5
[M]-	131.09519	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe