CID 71728452

D-glucosaminic acid 6-phosphate(2-)

Structural Information

Molecular Formula
C6H14NO9P
SMILES
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14NO9P/c7-3(6(11)12)5(10)4(9)2(8)1-16-17(13,14)15/h2-5,8-10H,1,7H2,(H,11,12)(H2,13,14,15)/t2-,3-,4-,5-/m1/s1
InChIKey
JZTCDGMXXSOZRP-TXICZTDVSA-N
Compound name
(2R,3R,4S,5R)-2-amino-3,4,5-trihydroxy-6-phosphonooxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

275.04062 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04790 156.5
[M+Na]+ 298.02984 158.2
[M-H]- 274.03334 146.5
[M+NH4]+ 293.07444 154.6
[M+K]+ 314.00378 159.7
[M+H-H2O]+ 258.03788 149.1
[M+HCOO]- 320.03882 156.4
[M+CH3COO]- 334.05447 187.9
[M+Na-2H]- 296.01529 151.9
[M]+ 275.04007 153.5
[M]- 275.04117 153.5
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.