CID 160603

L-allysine

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

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

InChI

InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1

InChIKey

GFXYTQPNNXGICT-YFKPBYRVSA-N

Compound name

(2S)-2-amino-6-oxohexanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 147
References: 2616
Patents: 145.0739 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]+	146.08118	130.8
[M+Na]+	168.06312	136.8
[M-H]-	144.06662	129.2
[M+NH4]+	163.10772	150.7
[M+K]+	184.03706	136.3
[M+H-H2O]+	128.07116	125.9
[M+HCOO]-	190.07210	152.6
[M+CH3COO]-	204.08775	174.6
[M+Na-2H]-	166.04857	133.9
[M]+	145.07335	129.9
[M]-	145.07445	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe