CID 14299197

Leucyllysine

Structural Information

Molecular Formula

C₁₂H₂₅N₃O₃

SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)O)N

InChI

InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)

InChIKey

OTXBNHIUIHNGAO-UHFFFAOYSA-N

Compound name

6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 259.1896 Da
Monoisotopic Mass: -3.0
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]+	260.19688	167.2
[M+Na]+	282.17882	168.3
[M-H]-	258.18232	164.1
[M+NH4]+	277.22342	181.3
[M+K]+	298.15276	168.0
[M+H-H2O]+	242.18686	160.2
[M+HCOO]-	304.18780	185.4
[M+CH3COO]-	318.20345	204.9
[M+Na-2H]-	280.16427	162.7
[M]+	259.18905	163.8
[M]-	259.19015	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe