CID 439358

5-aminopentanamide

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

C(CCN)CC(=O)N

InChI

InChI=1S/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)

InChIKey

OTIAVLWNTIXJDO-UHFFFAOYSA-N

Compound name

5-aminopentanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 856
Patents: 116.09496 Da
Monoisotopic Mass: -1.0
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	125.1
[M+Na]+	139.08418	131.0
[M-H]-	115.08768	124.4
[M+NH4]+	134.12878	146.5
[M+K]+	155.05812	130.5
[M+H-H2O]+	99.092220	119.9
[M+HCOO]-	161.09316	149.4
[M+CH3COO]-	175.10881	174.4
[M+Na-2H]-	137.06963	129.6
[M]+	116.09441	122.3
[M]-	116.09551	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe