CID 11219156

Lysyl-asparagine

Structural Information

Molecular Formula

C₁₀H₂₀N₄O₄

SMILES

C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N

InChI

InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)/t6-,7-/m0/s1

InChIKey

JPNRPAJITHRXRH-BQBZGAKWSA-N

Compound name

(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5063
Patents: 260.14847 Da
Monoisotopic Mass: -5.0
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]+	261.15575	161.6
[M+Na]+	283.13769	162.8
[M-H]-	259.14119	158.3
[M+NH4]+	278.18229	174.7
[M+K]+	299.11163	163.0
[M+H-H2O]+	243.14573	154.1
[M+HCOO]-	305.14667	181.2
[M+CH3COO]-	319.16232	205.6
[M+Na-2H]-	281.12314	157.6
[M]+	260.14792	156.3
[M]-	260.14902	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe