CID 87953587

Glycolic acid-lysine-amide

Structural Information

Molecular Formula

C₈H₁₆N₂O₄

SMILES

C(CCNC(=O)CO)C[C@@H](C(=O)O)N

InChI

InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-7(12)5-11/h6,11H,1-5,9H2,(H,10,12)(H,13,14)/t6-/m0/s1

InChIKey

CUAIAXBEFIRPKG-LURJTMIESA-N

Compound name

(2S)-2-amino-6-[(2-hydroxyacetyl)amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 204.11101 Da
Monoisotopic Mass: -3.4
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]+	205.11829	146.8
[M+Na]+	227.10023	151.0
[M+NH4]+	222.14483	150.5
[M+K]+	243.07417	149.7
[M-H]-	203.10373	143.1
[M+Na-2H]-	225.08568	145.7
[M]+	204.11046	145.4
[M]-	204.11156	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe