CID 160556

L-saccharopine

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₆

SMILES

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

InChI

InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

InChIKey

ZDGJAHTZVHVLOT-YUMQZZPRSA-N

Compound name

(2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 115
References: 1094
Patents: 276.13214 Da
Monoisotopic Mass: -5.5
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]+	277.13942	164.0
[M+Na]+	299.12136	165.3
[M-H]-	275.12486	158.6
[M+NH4]+	294.16596	176.1
[M+K]+	315.09530	164.9
[M+H-H2O]+	259.12940	157.3
[M+HCOO]-	321.13034	179.9
[M+CH3COO]-	335.14599	199.1
[M+Na-2H]-	297.10681	160.2
[M]+	276.13159	161.9
[M]-	276.13269	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe