CID 22392768

(s)-amino-cyclopentyl-acetic acid methyl ester hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)C(C1CCCC1)N

InChI

InChI=1S/C8H15NO2/c1-11-8(10)7(9)6-4-2-3-5-6/h6-7H,2-5,9H2,1H3

InChIKey

ZGQSMYWOPKCARZ-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-cyclopentylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 157.11028 Da
Monoisotopic Mass: 1.1
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]+	158.11756	136.7
[M+Na]+	180.09950	141.2
[M-H]-	156.10300	139.1
[M+NH4]+	175.14410	158.4
[M+K]+	196.07344	141.1
[M+H-H2O]+	140.10754	131.0
[M+HCOO]-	202.10848	158.3
[M+CH3COO]-	216.12413	177.5
[M+Na-2H]-	178.08495	137.8
[M]+	157.10973	132.9
[M]-	157.11083	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe