CID 86583037

Chebi:145423

Structural Information

Molecular Formula
C6H12NO8P
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H12NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-5,8-9H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKey
BMFNJBCGYNQCSJ-TXICZTDVSA-N
Compound name
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.03006 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03734 150.8
[M+Na]+ 280.01928 156.7
[M-H]- 256.02278 148.2
[M+NH4]+ 275.06388 163.6
[M+K]+ 295.99322 157.1
[M+H-H2O]+ 240.02732 143.5
[M+HCOO]- 302.02826 170.6
[M+CH3COO]- 316.04391 187.4
[M+Na-2H]- 278.00473 151.6
[M]+ 257.02951 149.2
[M]- 257.03061 149.2
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.