CID 721

2-amino-6-[[4,5-dihydroxy-3-oxo-6-(phosphonooxymethyl)oxan-2-yl]amino]hexanoic acid

Structural Information

Molecular Formula
C12H23N2O10P
SMILES
C(CCNC1C(=O)C(C(C(O1)COP(=O)(O)O)O)O)CC(C(=O)O)N
InChI
InChI=1S/C12H23N2O10P/c13-6(12(18)19)3-1-2-4-14-11-10(17)9(16)8(15)7(24-11)5-23-25(20,21)22/h6-9,11,14-16H,1-5,13H2,(H,18,19)(H2,20,21,22)
InChIKey
BZFCRRVQZCIOBA-UHFFFAOYSA-N
Compound name
2-amino-6-[[4,5-dihydroxy-3-oxo-6-(phosphonooxymethyl)oxan-2-yl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

386.10904 Da
Monoisotopic Mass

-8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11632 182.4
[M+Na]+ 409.09826 183.2
[M-H]- 385.10176 177.2
[M+NH4]+ 404.14286 188.2
[M+K]+ 425.07220 184.4
[M+H-H2O]+ 369.10630 173.3
[M+HCOO]- 431.10724 198.1
[M+CH3COO]- 445.12289 215.9
[M+Na-2H]- 407.08371 179.0
[M]+ 386.10849 181.0
[M]- 386.10959 181.0
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.