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]+ 212.10297 145.1
[M+Na]+ 234.08491 151.7
[M-H]- 210.08841 148.3
[M+NH4]+ 229.12951 161.8
[M+K]+ 250.05885 151.0
[M+H-H2O]+ 194.09295 137.8
[M+HCOO]- 256.09389 164.9
[M+CH3COO]- 270.10954 183.7
[M+Na-2H]- 232.07036 145.9
[M]+ 211.09514 142.9
[M]- 211.09624 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.