CID 489856

Methyl 1-[(3r,5r)-5-(hydroxymethyl)oxolan-3-yl]imidazole-4-carboxylate

Structural Information

Molecular Formula
C10H14N2O4
SMILES
COC(=O)C1=CN(C=N1)[C@@H]2C[C@@H](OC2)CO
InChI
InChI=1S/C10H14N2O4/c1-15-10(14)9-3-12(6-11-9)7-2-8(4-13)16-5-7/h3,6-8,13H,2,4-5H2,1H3/t7-,8-/m1/s1
InChIKey
YUWRYEPFXRVPBL-HTQZYQBOSA-N
Compound name
methyl 1-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.09535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 148.3
[M+Na]+ 249.08457 155.4
[M-H]- 225.08807 151.9
[M+NH4]+ 244.12917 165.1
[M+K]+ 265.05851 155.4
[M+H-H2O]+ 209.09261 141.4
[M+HCOO]- 271.09355 167.6
[M+CH3COO]- 285.10920 183.7
[M+Na-2H]- 247.07002 149.2
[M]+ 226.09480 149.5
[M]- 226.09590 149.5
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.