CID 54219070

187100-24-9

Structural Information

Molecular Formula
C6H12N4O4
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N)O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C6H12N4O4/c7-6-5(13)4(12)3(11)2(14-6)1-9-10-8/h2-6,11-13H,1,7H2/t2-,3-,4+,5-,6-/m1/s1
InChIKey
QBFXJUQJKLBFTK-VFUOTHLCSA-N
Compound name
(2R,3R,4S,5S,6R)-2-amino-6-(azidomethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

204.08586 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09314 139.1
[M+Na]+ 227.07508 144.6
[M-H]- 203.07858 141.7
[M+NH4]+ 222.11968 154.6
[M+K]+ 243.04902 139.3
[M+H-H2O]+ 187.08312 137.4
[M+HCOO]- 249.08406 162.7
[M+CH3COO]- 263.09971 183.1
[M+Na-2H]- 225.06053 146.2
[M]+ 204.08531 132.1
[M]- 204.08641 132.1
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

patents stripe