CID 11252956

(2s,3s,4s,5r,6r)-6-azido-3,4,5-trihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula
C6H9N3O6
SMILES
[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)N=[N+]=[N-])C(=O)O)O)O
InChI
InChI=1S/C6H9N3O6/c7-9-8-5-3(12)1(10)2(11)4(15-5)6(13)14/h1-5,10-12H,(H,13,14)/t1-,2-,3+,4-,5+/m0/s1
InChIKey
HFKUSYWEILNCQU-CIOUUCGESA-N
Compound name
(2S,3S,4S,5R,6R)-6-azido-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04913 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05641 140.0
[M+Na]+ 242.03835 145.5
[M-H]- 218.04185 141.8
[M+NH4]+ 237.08295 154.4
[M+K]+ 258.01229 140.7
[M+H-H2O]+ 202.04639 138.6
[M+HCOO]- 264.04733 161.3
[M+CH3COO]- 278.06298 180.5
[M+Na-2H]- 240.02380 146.5
[M]+ 219.04858 134.3
[M]- 219.04968 134.3
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.