CID 5962

L-lysine

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

InChIKey

KDXKERNSBIXSRK-YFKPBYRVSA-N

Compound name

(2S)-2,6-diaminohexanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 72233
References: 261628
Patents: 146.10553 Da
Monoisotopic Mass: -3.0
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]+	147.11281	133.7
[M+Na]+	169.09475	138.5
[M-H]-	145.09825	131.4
[M+NH4]+	164.13935	153.0
[M+K]+	185.06869	137.8
[M+H-H2O]+	129.10279	128.2
[M+HCOO]-	191.10373	155.3
[M+CH3COO]-	205.11938	177.9
[M+Na-2H]-	167.08020	135.7
[M]+	146.10498	130.1
[M]-	146.10608	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe