CID 4305457

Leucylglutamine

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₄

SMILES

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

InChI

InChI=1S/C11H21N3O4/c1-6(2)5-7(12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)

InChIKey

JYOAXOMPIXKMKK-UHFFFAOYSA-N

Compound name

5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 259.1532 Da
Monoisotopic Mass: -3.9
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]+	260.16048	162.6
[M+Na]+	282.14242	164.3
[M+NH4]+	277.18702	164.9
[M+K]+	298.11636	165.0
[M-H]-	258.14592	158.5
[M+Na-2H]-	280.12787	159.5
[M]+	259.15265	160.5
[M]-	259.15375	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe