CID 137832565

3-amino-4-cyclopentyl-2-hydroxybutanoic acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

C1CCC(C1)CC(C(C(=O)O)O)N

InChI

InChI=1S/C9H17NO3/c10-7(8(11)9(12)13)5-6-3-1-2-4-6/h6-8,11H,1-5,10H2,(H,12,13)

InChIKey

MVPCVSWLCKMXFN-UHFFFAOYSA-N

Compound name

3-amino-4-cyclopentyl-2-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 Da
Monoisotopic Mass: -1.4
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]+	188.128126	145.1
[M+Na]+	210.110068	147.9
[M-H]-	186.113574	144.5
[M+NH4]+	205.154673	163.9
[M+K]+	226.084008	146.8
[M+H-H2O]+	170.118110	139.5
[M+HCOO]-	232.119051	162.5
[M+CH3COO]-	246.134701	179.2
[M+Na-2H]-	208.095516	143.5
[M]+	187.12030142	138.8
[M]-	187.12139858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.