CID 18218182

Nl dipeptide

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₄

SMILES

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

InChI

InChI=1S/C10H19N3O4/c1-5(2)3-7(10(16)17)13-9(15)6(11)4-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)

InChIKey

HXWUJJADFMXNKA-UHFFFAOYSA-N

Compound name

2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 36
Patents: 245.13756 Da
Monoisotopic Mass: -4.3
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]+	246.14484	159.5
[M+Na]+	268.12678	161.4
[M-H]-	244.13028	156.8
[M+NH4]+	263.17138	173.8
[M+K]+	284.10072	162.1
[M+H-H2O]+	228.13482	152.8
[M+HCOO]-	290.13576	177.7
[M+CH3COO]-	304.15141	201.4
[M+Na-2H]-	266.11223	154.8
[M]+	245.13701	155.4
[M]-	245.13811	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe