CID 13793967

N-(3-aminopropyl)acetamide

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(=O)NCCCN

InChI

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

InChIKey

YFZBPSXRYCOKCW-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 269
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	124.4
[M+Na]+	139.08418	132.5
[M+NH4]+	134.12878	131.8
[M+K]+	155.05812	128.1
[M-H]-	115.08768	124.4
[M+Na-2H]-	137.06963	127.7
[M]+	116.09441	125.1
[M]-	116.09551	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe