CID 138911149

Chebi:144611

Structural Information

Molecular Formula
C11H23N2O9P
SMILES
C(CCNCC(=O)[C@@H]([C@@H](CO)O)OP(=O)(O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(15)10(9(16)6-14)22-23(19,20)21/h7,9-10,13-14,16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1
InChIKey
YTGLSMMTLBLOES-SFGNSQDASA-N
Compound name
(2S)-2-amino-6-[[(3R,4R)-4,5-dihydroxy-2-oxo-3-phosphonooxypentyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1141 Da
Monoisotopic Mass

-8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12138 179.6
[M+Na]+ 381.10332 183.9
[M-H]- 357.10682 183.9
[M+NH4]+ 376.14792 178.0
[M+K]+ 397.07726 174.7
[M+H-H2O]+ 341.11136 168.2
[M+HCOO]- 403.11230 176.6
[M+CH3COO]- 417.12795 209.3
[M+Na-2H]- 379.08877 168.1
[M]+ 358.11355 169.2
[M]- 358.11465 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

No patent data available for this compound.