CID 511462

Chembl3274496

Structural Information

Molecular Formula
C6H10N4O4
SMILES
C1=NN=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C6H10N4O4/c11-1-3-4(12)5(13)6(14-3)10-2-7-8-9-10/h2-6,11-13H,1H2/t3-,4-,5-,6-/m1/s1
InChIKey
YLTNTJMJKHROKL-KVTDHHQDSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(tetrazol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

202.0702 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07748 140.8
[M+Na]+ 225.05942 149.5
[M-H]- 201.06292 139.8
[M+NH4]+ 220.10402 154.6
[M+K]+ 241.03336 148.5
[M+H-H2O]+ 185.06746 133.1
[M+HCOO]- 247.06840 156.4
[M+CH3COO]- 261.08405 175.0
[M+Na-2H]- 223.04487 142.5
[M]+ 202.06965 139.7
[M]- 202.07075 139.7
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.