CID 3328705

Leu-asp

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₅

SMILES

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

InChI

InChI=1S/C10H18N2O5/c1-5(2)3-6(11)9(15)12-7(10(16)17)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)

InChIKey

DVCSNHXRZUVYAM-UHFFFAOYSA-N

Compound name

2-[(2-amino-4-methylpentanoyl)amino]butanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2773
Patents: 246.12157 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]+	247.128846	157.9
[M+Na]+	269.110788	160.2
[M-H]-	245.114294	154.3
[M+NH4]+	264.155393	172.1
[M+K]+	285.084728	160.8
[M+H-H2O]+	229.118830	151.8
[M+HCOO]-	291.119771	174.5
[M+CH3COO]-	305.135421	196.4
[M+Na-2H]-	267.096236	153.7
[M]+	246.12102142	155.2
[M]-	246.12211858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe