CID 84013346

N-methyl-3-[n-methyl-3-(methylamino)propanamido]propanamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₉N₃O₂

SMILES

CNCCC(=O)N(C)CCC(=O)NC

InChI

InChI=1S/C9H19N3O2/c1-10-6-4-9(14)12(3)7-5-8(13)11-2/h10H,4-7H2,1-3H3,(H,11,13)

InChIKey

HPJVRDNRWSFHRH-UHFFFAOYSA-N

Compound name

N-methyl-3-(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.14772 Da
Monoisotopic Mass: -1.5
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]+	202.154996	149.3
[M+Na]+	224.136938	153.0
[M-H]-	200.140444	150.5
[M+NH4]+	219.181543	168.0
[M+K]+	240.110878	154.0
[M+H-H2O]+	184.144980	142.5
[M+HCOO]-	246.145921	174.5
[M+CH3COO]-	260.161571	197.1
[M+Na-2H]-	222.122386	152.0
[M]+	201.14717142	150.4
[M]-	201.14826858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.