CID 164795

N6-methyl-l-lysine

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CNCCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1

InChIKey

PQNASZJZHFPQLE-LURJTMIESA-N

Compound name

(2S)-2-amino-6-(methylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 37
References: 7358
Patents: 160.12119 Da
Monoisotopic Mass: -2.5
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]+	161.12847	137.9
[M+Na]+	183.11041	142.3
[M-H]-	159.11391	136.0
[M+NH4]+	178.15501	156.9
[M+K]+	199.08435	141.7
[M+H-H2O]+	143.11845	132.3
[M+HCOO]-	205.11939	159.9
[M+CH3COO]-	219.13504	181.6
[M+Na-2H]-	181.09586	140.5
[M]+	160.12064	135.8
[M]-	160.12174	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe