CID 101249095

Chebi:228149

Structural Information

Molecular Formula
C11H19NO9
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)O)C(=O)O)O)O)O)O
InChI
InChI=1S/C11H19NO9/c13-6-3-21-11(20,9(17)8(6)16)4-12-5(10(18)19)1-2-7(14)15/h5-6,8-9,12-13,16-17,20H,1-4H2,(H,14,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1
InChIKey
RHYOFQJYHNHREU-VISRLPHGSA-N
Compound name
(2S)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.106 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11328 165.9
[M+Na]+ 332.09522 168.2
[M+NH4]+ 327.13982 167.9
[M+K]+ 348.06916 169.1
[M-H]- 308.09872 161.1
[M+Na-2H]- 330.08067 162.8
[M]+ 309.10545 163.9
[M]- 309.10655 163.9
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.