CID 447593

(2s)-2-aminopentanamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCC[C@@H](C(=O)N)N

InChI

InChI=1S/C5H12N2O/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1

InChIKey

UZRUKLJLGXLGDM-BYPYZUCNSA-N

Compound name

(2S)-2-aminopentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 146
Patents: 116.09496 Da
Monoisotopic Mass: -0.5
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]+	117.10224	126.0
[M+Na]+	139.08418	131.7
[M-H]-	115.08768	125.4
[M+NH4]+	134.12878	147.3
[M+K]+	155.05812	131.7
[M+H-H2O]+	99.092220	120.9
[M+HCOO]-	161.09316	149.3
[M+CH3COO]-	175.10881	175.3
[M+Na-2H]-	137.06963	129.1
[M]+	116.09441	122.5
[M]-	116.09551	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe