CID 44150501

N2-d-gluconoyl-l-lysine

Structural Information

Molecular Formula
C12H24N2O8
SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C12H24N2O8/c13-4-2-1-3-6(12(21)22)14-11(20)10(19)9(18)8(17)7(16)5-15/h6-10,15-19H,1-5,13H2,(H,14,20)(H,21,22)/t6-,7+,8+,9-,10+/m0/s1
InChIKey
YWBDHWNCZICEAK-LOLPMWEVSA-N
Compound name
(2S)-6-amino-2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

324.15326 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.160536 174.4
[M+Na]+ 347.142478 172.9
[M-H]- 323.145984 164.7
[M+NH4]+ 342.187083 177.8
[M+K]+ 363.116418 173.7
[M+H-H2O]+ 307.150520 167.6
[M+HCOO]- 369.151461 169.9
[M+CH3COO]- 383.167111 203.3
[M+Na-2H]- 345.127926 166.4
[M]+ 324.15271142 169.2
[M]- 324.15380858 169.2
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

patents stripe