CID 454111

2-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]tetrazole-5-carboxamide

Structural Information

Molecular Formula
C6H9N5O3S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2N=C(N=N2)C(=O)N
InChI
InChI=1S/C6H9N5O3S/c7-5(13)6-8-10-11(9-6)3-2-15-4(1-12)14-3/h3-4,12H,1-2H2,(H2,7,13)/t3-,4+/m1/s1
InChIKey
FGBMKCLTNVWTBK-DMTCNVIQSA-N
Compound name
2-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]tetrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04262 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04990 146.8
[M+Na]+ 254.03184 155.6
[M-H]- 230.03534 148.3
[M+NH4]+ 249.07644 161.0
[M+K]+ 270.00578 154.6
[M+H-H2O]+ 214.03988 139.4
[M+HCOO]- 276.04082 160.3
[M+CH3COO]- 290.05647 184.6
[M+Na-2H]- 252.01729 145.7
[M]+ 231.04207 147.1
[M]- 231.04317 147.1
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.