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
6
Annotation Hits

115
References

1060
Patents

276.13214 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13942 163.9
[M+Na]+ 299.12136 165.4
[M+NH4]+ 294.16596 165.0
[M+K]+ 315.09530 166.4
[M-H]- 275.12486 157.8
[M+Na-2H]- 297.10681 159.8
[M]+ 276.13159 161.2
[M]- 276.13269 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe