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 164.9
[M+Na]+ 332.09522 167.3
[M-H]- 308.09872 160.3
[M+NH4]+ 327.13982 175.1
[M+K]+ 348.06916 167.8
[M+H-H2O]+ 292.10326 160.1
[M+HCOO]- 354.10420 174.4
[M+CH3COO]- 368.11985 195.3
[M+Na-2H]- 330.08067 164.2
[M]+ 309.10545 161.6
[M]- 309.10655 161.6
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.