CID 495169

Nsc645090

Structural Information

Molecular Formula
C7H13N5O4
SMILES
CNC1=NN=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C7H13N5O4/c1-8-7-9-10-11-12(7)6-5(15)4(14)3(2-13)16-6/h3-6,13-15H,2H2,1H3,(H,8,9,11)/t3-,4-,5-,6-/m1/s1
InChIKey
UCKXZCWXRRSJMW-KVTDHHQDSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[5-(methylamino)tetrazol-1-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.09676 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10404 149.1
[M+Na]+ 254.08598 157.3
[M-H]- 230.08948 148.5
[M+NH4]+ 249.13058 161.7
[M+K]+ 270.05992 156.0
[M+H-H2O]+ 214.09402 141.1
[M+HCOO]- 276.09496 165.4
[M+CH3COO]- 290.11061 184.5
[M+Na-2H]- 252.07143 150.3
[M]+ 231.09621 148.1
[M]- 231.09731 148.1
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

No patent data available for this compound.