CID 4961985

2-amino-n-propylacetamide

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCCNC(=O)CN

InChI

InChI=1S/C5H12N2O/c1-2-3-7-5(8)4-6/h2-4,6H2,1H3,(H,7,8)

InChIKey

FDYLEQIJNGFKPH-UHFFFAOYSA-N

Compound name

2-amino-N-propylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 183
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]+	117.102236	125.1
[M+Na]+	139.084178	131.1
[M-H]-	115.087684	125.0
[M+NH4]+	134.128783	146.8
[M+K]+	155.058118	131.0
[M+H-H2O]+	99.092220	119.9
[M+HCOO]-	161.093161	150.0
[M+CH3COO]-	175.108811	174.3
[M+Na-2H]-	137.069626	130.6
[M]+	116.09441142	123.2
[M]-	116.09550858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe