CID 104294

Methionylmethionine

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃S₂

SMILES

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

InChI

InChI=1S/C10H20N2O3S2/c1-16-5-3-7(11)9(13)12-8(10(14)15)4-6-17-2/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)

InChIKey

ZYTPOUNUXRBYGW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 247
Patents: 280.09152 Da
Monoisotopic Mass: -2.6
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]+	281.09880	163.2
[M+Na]+	303.08074	166.0
[M+NH4]+	298.12534	167.8
[M+K]+	319.05468	160.7
[M-H]-	279.08424	160.5
[M+Na-2H]-	301.06619	161.3
[M]+	280.09097	163.0
[M]-	280.09207	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe