CID 138911147

N(6)-(d-ribulosyl)-l-lysine

Structural Information

Molecular Formula
C11H22N2O6
SMILES
C(CCNCC(=O)[C@@H]([C@@H](CO)O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H22N2O6/c12-7(11(18)19)3-1-2-4-13-5-8(15)10(17)9(16)6-14/h7,9-10,13-14,16-17H,1-6,12H2,(H,18,19)/t7-,9+,10-/m0/s1
InChIKey
SMNBVUPHZDTVSW-SFGNSQDASA-N
Compound name
(2S)-2-amino-6-[[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1478 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15508 165.0
[M+Na]+ 301.13702 165.9
[M+NH4]+ 296.18162 166.1
[M+K]+ 317.11096 167.3
[M-H]- 277.14052 158.6
[M+Na-2H]- 299.12247 160.4
[M]+ 278.14725 162.1
[M]- 278.14835 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.