CID 84013227

N-methyl-2-[3-(methylamino)propanamido]pentanamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁N₃O₂

SMILES

CCCC(C(=O)NC)NC(=O)CCNC

InChI

InChI=1S/C10H21N3O2/c1-4-5-8(10(15)12-3)13-9(14)6-7-11-2/h8,11H,4-7H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

RXSJWVSLOJMLMZ-UHFFFAOYSA-N

Compound name

N-methyl-2-[3-(methylamino)propanoylamino]pentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.16338 Da
Monoisotopic Mass: -0.3
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	157.0
[M-H]-	214.156104	153.8
[M+NH4]+	233.197203	171.6
[M+K]+	254.126538	156.9
[M+H-H2O]+	198.160640	147.4
[M+HCOO]-	260.161581	177.5
[M+CH3COO]-	274.177231	197.6
[M+Na-2H]-	236.138046	155.8
[M]+	215.16283142	153.7
[M]-	215.16392858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.