CID 7010499

L-lysyl-l-isoleucine

Structural Information

Molecular Formula

C₁₂H₂₅N₃O₃

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C12H25N3O3/c1-3-8(2)10(12(17)18)15-11(16)9(14)6-4-5-7-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1

InChIKey

FMIIKPHLJKUXGE-GUBZILKMSA-N

Compound name

(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2532
Patents: 259.1896 Da
Monoisotopic Mass: -3.2
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]+	260.196876	167.2
[M+Na]+	282.178818	168.3
[M-H]-	258.182324	164.1
[M+NH4]+	277.223423	181.3
[M+K]+	298.152758	168.0
[M+H-H2O]+	242.186860	160.2
[M+HCOO]-	304.187801	185.4
[M+CH3COO]-	318.203451	204.9
[M+Na-2H]-	280.164266	162.7
[M]+	259.18905142	163.8
[M]-	259.19014858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe