CID 155293257

Ns00072257

Structural Information

Molecular Formula
C7H14N4O6
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)([C@@H](N)O)N=[N+]=[N-])O)O)O)O
InChI
InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6+,7+/m1/s1
InChIKey
LAKOUYZWWLMCSL-XZAJRHLXSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[(S)-amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09134 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09862 146.2
[M+Na]+ 273.08056 150.6
[M-H]- 249.08406 146.0
[M+NH4]+ 268.12516 160.0
[M+K]+ 289.05450 145.6
[M+H-H2O]+ 233.08860 145.5
[M+HCOO]- 295.08954 165.7
[M+CH3COO]- 309.10519 186.8
[M+Na-2H]- 271.06601 152.9
[M]+ 250.09079 138.5
[M]- 250.09189 138.5
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.