CID 489854

1-[(3s,5s)-5-(hydroxymethyl)oxolan-3-yl]imidazole-4-carboxamide

Structural Information

Molecular Formula
C9H13N3O3
SMILES
C1[C@@H](CO[C@@H]1CO)N2C=C(N=C2)C(=O)N
InChI
InChI=1S/C9H13N3O3/c10-9(14)8-2-12(5-11-8)6-1-7(3-13)15-4-6/h2,5-7,13H,1,3-4H2,(H2,10,14)/t6-,7-/m0/s1
InChIKey
FQKDPOVMHOYXOE-BQBZGAKWSA-N
Compound name
1-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.09569 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.102966 145.1
[M+Na]+ 234.084908 151.7
[M-H]- 210.088414 148.3
[M+NH4]+ 229.129513 161.8
[M+K]+ 250.058848 151.0
[M+H-H2O]+ 194.092950 137.8
[M+HCOO]- 256.093891 164.9
[M+CH3COO]- 270.109541 183.7
[M+Na-2H]- 232.070356 145.9
[M]+ 211.09514142 142.9
[M]- 211.09623858 142.9
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.