CID 79087

5-aminohexanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(CCCC(=O)O)N

InChI

InChI=1S/C6H13NO2/c1-5(7)3-2-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)

InChIKey

IPCUHQYGWOKSLR-UHFFFAOYSA-N

Compound name

5-aminohexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 536
Patents: 131.09464 Da
Monoisotopic Mass: -2.3
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	128.7
[M+Na]+	154.08386	136.5
[M+NH4]+	149.12846	135.3
[M+K]+	170.05780	133.1
[M-H]-	130.08736	127.1
[M+Na-2H]-	152.06931	130.6
[M]+	131.09409	128.8
[M]-	131.09519	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe