CID 60843457

1605128-18-4

Structural Information

Molecular Formula

C₁₀H₂₁N₃O₂

SMILES

CNCCCC(=O)N(C)CC(=O)N(C)C

InChI

InChI=1S/C10H21N3O2/c1-11-7-5-6-9(14)13(4)8-10(15)12(2)3/h11H,5-8H2,1-4H3

InChIKey

HIMUXMUKKUXTAU-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.16338 Da
Monoisotopic Mass: -0.9
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]+	216.170656	154.1
[M+Na]+	238.152598	157.7
[M-H]-	214.156104	156.8
[M+NH4]+	233.197203	173.0
[M+K]+	254.126538	159.9
[M+H-H2O]+	198.160640	147.1
[M+HCOO]-	260.161581	179.5
[M+CH3COO]-	274.177231	203.6
[M+Na-2H]-	236.138046	155.6
[M]+	215.16283142	157.0
[M]-	215.16392858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.