CID 233487

2-amino-6-hydroxyhexanoic acid

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

C(CCO)CC(C(=O)O)N

InChI

InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)

InChIKey

OLUWXTFAPJJWPL-UHFFFAOYSA-N

Compound name

2-amino-6-hydroxyhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 576
Patents: 147.08954 Da
Monoisotopic Mass: -2.8
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]+	148.096816	133.0
[M+Na]+	170.078758	138.2
[M-H]-	146.082264	129.9
[M+NH4]+	165.123363	152.1
[M+K]+	186.052698	137.4
[M+H-H2O]+	130.086800	128.1
[M+HCOO]-	192.087741	153.0
[M+CH3COO]-	206.103391	173.0
[M+Na-2H]-	168.064206	135.4
[M]+	147.08899142	130.8
[M]-	147.09008858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe