CID 128888

Chebi:58122

Structural Information

Molecular Formula

C₈H₁₆N₂O₄

SMILES

CC(=O)N(CCCC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C8H16N2O4/c1-6(11)10(14)5-3-2-4-7(9)8(12)13/h7,14H,2-5,9H2,1H3,(H,12,13)/t7-/m0/s1

InChIKey

YXKGOSZASIKYPU-ZETCQYMHSA-N

Compound name

(2S)-6-[acetyl(hydroxy)amino]-2-aminohexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2
Patents: 204.11101 Da
Monoisotopic Mass: -3.3
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	146.7
[M+Na]+	227.10023	151.2
[M+NH4]+	222.14483	150.7
[M+K]+	243.07417	150.3
[M-H]-	203.10373	143.4
[M+Na-2H]-	225.08568	145.9
[M]+	204.11046	145.5
[M]-	204.11156	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe