CID 14843111

Methionyl-glutamate

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₅S

SMILES

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

InChI

InChI=1S/C10H18N2O5S/c1-18-5-4-6(11)9(15)12-7(10(16)17)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)

InChIKey

ADHNYKZHPOEULM-UHFFFAOYSA-N

Compound name

2-[(2-amino-4-methylsulfanylbutanoyl)amino]pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 278.09363 Da
Monoisotopic Mass: -3.7
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]+	279.10091	163.8
[M+Na]+	301.08285	165.6
[M+NH4]+	296.12745	166.3
[M+K]+	317.05679	164.1
[M-H]-	277.08635	158.8
[M+Na-2H]-	299.06830	160.5
[M]+	278.09308	162.0
[M]-	278.09418	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe