CID 7022320

Lysylglycine

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

C(CCN)C[C@@H](C(=O)NCC(=O)O)N

InChI

InChI=1S/C8H17N3O3/c9-4-2-1-3-6(10)8(14)11-5-7(12)13/h6H,1-5,9-10H2,(H,11,14)(H,12,13)/t6-/m0/s1

InChIKey

HGNRJCINZYHNOU-LURJTMIESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 6708
Patents: 203.127 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]+	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