CID 20440250

2-(cyclopentylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C(=O)O)NC1CCCC1

InChI

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

InChIKey

LDUWTIUXPVCEQF-UHFFFAOYSA-N

Compound name

2-(cyclopentylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2727
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]+	158.117556	136.6
[M+Na]+	180.099498	140.5
[M-H]-	156.103004	138.0
[M+NH4]+	175.144103	157.7
[M+K]+	196.073438	139.9
[M+H-H2O]+	140.107540	131.0
[M+HCOO]-	202.108481	157.3
[M+CH3COO]-	216.124131	176.2
[M+Na-2H]-	178.084946	138.2
[M]+	157.10973142	132.0
[M]-	157.11082858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe