CID 511450

Chembl3277882

Structural Information

Molecular Formula
C6H11N5O4
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=NN=N2)N)O)O)O
InChI
InChI=1S/C6H11N5O4/c7-6-8-9-10-11(6)5-4(14)3(13)2(1-12)15-5/h2-5,12-14H,1H2,(H2,7,8,10)/t2-,3-,4-,5-/m1/s1
InChIKey
DTLYDEGPRQTWSV-TXICZTDVSA-N
Compound name
(2R,3R,4S,5R)-2-(5-aminotetrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.0811 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08838 145.0
[M+Na]+ 240.07032 153.6
[M-H]- 216.07382 144.1
[M+NH4]+ 235.11492 158.0
[M+K]+ 256.04426 152.2
[M+H-H2O]+ 200.07836 137.2
[M+HCOO]- 262.07930 161.0
[M+CH3COO]- 276.09495 181.1
[M+Na-2H]- 238.05577 145.7
[M]+ 217.08055 142.7
[M]- 217.08165 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.