CID 11708526

Chembl203308

Structural Information

Molecular Formula
C9H12N4O4
SMILES
C1=C([C@H]([C@H]([C@@H]1N2C=C(N=N2)C(=O)N)O)O)CO
InChI
InChI=1S/C9H12N4O4/c10-9(17)5-2-13(12-11-5)6-1-4(3-14)7(15)8(6)16/h1-2,6-8,14-16H,3H2,(H2,10,17)/t6-,7-,8+/m1/s1
InChIKey
MHXCOGJMZNSJBR-PRJMDXOYSA-N
Compound name
1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.08586 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09314 150.6
[M+Na]+ 263.07508 158.7
[M-H]- 239.07858 150.5
[M+NH4]+ 258.11968 165.2
[M+K]+ 279.04902 155.9
[M+H-H2O]+ 223.08312 143.2
[M+HCOO]- 285.08406 168.6
[M+CH3COO]- 299.09971 186.5
[M+Na-2H]- 261.06053 149.5
[M]+ 240.08531 148.2
[M]- 240.08641 148.2
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.