CID 18218229

Methionyllysine

Structural Information

Molecular Formula

C₁₁H₂₃N₃O₃S

SMILES

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

InChI

InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)

InChIKey

IMTUWVJPCQPJEE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 277.14603 Da
Monoisotopic Mass: -3.4
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]+	278.15331	166.1
[M+Na]+	300.13525	168.0
[M+NH4]+	295.17985	169.7
[M+K]+	316.10919	164.8
[M-H]-	276.13875	163.3
[M+Na-2H]-	298.12070	163.8
[M]+	277.14548	165.1
[M]-	277.14658	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe