CID 306144

Gk dipeptide

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

C(CCN)CC(C(=O)O)NC(=O)CN

InChI

InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)

InChIKey

IKAIKUBBJHFNBZ-UHFFFAOYSA-N

Compound name

6-amino-2-[(2-aminoacetyl)amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 23
References: 12653
Patents: 203.127 Da
Monoisotopic Mass: -5.4
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]+	204.13428	147.4
[M+Na]+	226.11622	151.0
[M+NH4]+	221.16082	151.4
[M+K]+	242.09016	149.5
[M-H]-	202.11972	144.8
[M+Na-2H]-	224.10167	146.6
[M]+	203.12645	146.2
[M]-	203.12755	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe