CID 44629783

N-acetyl-2-methyl-1,3-propanediamine

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CC(CN)CNC(=O)C

InChI

InChI=1S/C6H14N2O/c1-5(3-7)4-8-6(2)9/h5H,3-4,7H2,1-2H3,(H,8,9)

InChIKey

KPYAYJPVNXTYPE-UHFFFAOYSA-N

Compound name

N-(3-amino-2-methylpropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 130.11061 Da
Monoisotopic Mass: -0.6
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]+	131.11789	129.5
[M+Na]+	153.09983	137.1
[M+NH4]+	148.14443	136.6
[M+K]+	169.07377	133.2
[M-H]-	129.10333	129.2
[M+Na-2H]-	151.08528	132.1
[M]+	130.11006	130.0
[M]-	130.11116	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe