CID 13817313

Isoleucylleucine

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

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

InChI

InChI=1S/C12H24N2O3/c1-5-8(4)10(13)11(15)14-9(12(16)17)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)

InChIKey

JWBXCSQZLLIOCI-UHFFFAOYSA-N

Compound name

2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 2029
Patents: 244.1787 Da
Monoisotopic Mass: -1.7
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]+	245.18598	161.6
[M+Na]+	267.16792	165.1
[M+NH4]+	262.21252	165.3
[M+K]+	283.14186	164.4
[M-H]-	243.17142	158.3
[M+Na-2H]-	265.15337	159.6
[M]+	244.17815	160.3
[M]-	244.17925	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe