CID 489855

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

Structural Information

Molecular Formula
C12H18N2O5
SMILES
COC([C@H]1C[C@H](CO1)N2C=C(N=C2)C(=O)OC)OC
InChI
InChI=1S/C12H18N2O5/c1-16-11(15)9-5-14(7-13-9)8-4-10(19-6-8)12(17-2)18-3/h5,7-8,10,12H,4,6H2,1-3H3/t8-,10-/m1/s1
InChIKey
POZNMMHIHLJJKL-PSASIEDQSA-N
Compound name
methyl 1-[(3R,5R)-5-(dimethoxymethyl)oxolan-3-yl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.12158 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 159.3
[M+Na]+ 293.11080 165.5
[M-H]- 269.11430 164.1
[M+NH4]+ 288.15540 174.8
[M+K]+ 309.08474 167.0
[M+H-H2O]+ 253.11884 151.9
[M+HCOO]- 315.11978 178.6
[M+CH3COO]- 329.13543 195.2
[M+Na-2H]- 291.09625 158.7
[M]+ 270.12103 163.9
[M]- 270.12213 163.9
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.