CID 3006676

Dimethyl 1-(2-hydroxyethyl)imidazole-4,5-dicarboxylate

Structural Information

Molecular Formula
C9H12N2O5
SMILES
COC(=O)C1=C(N(C=N1)CCO)C(=O)OC
InChI
InChI=1S/C9H12N2O5/c1-15-8(13)6-7(9(14)16-2)11(3-4-12)5-10-6/h5,12H,3-4H2,1-2H3
InChIKey
SOJUZSDOYISGBH-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-hydroxyethyl)imidazole-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.07462 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 146.8
[M+Na]+ 251.06384 155.2
[M-H]- 227.06734 147.0
[M+NH4]+ 246.10844 163.4
[M+K]+ 267.03778 155.0
[M+H-H2O]+ 211.07188 139.9
[M+HCOO]- 273.07282 167.5
[M+CH3COO]- 287.08847 185.5
[M+Na-2H]- 249.04929 148.6
[M]+ 228.07407 151.7
[M]- 228.07517 151.7
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.