CID 222231

82831-19-4

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)C1=C(NC(=O)N1)C
InChI
InChI=1S/C7H10N2O3/c1-3-12-6(10)5-4(2)8-7(11)9-5/h3H2,1-2H3,(H2,8,9,11)
InChIKey
CNIUYOLZVQXGAI-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

170.06914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 133.9
[M+Na]+ 193.058358 143.3
[M-H]- 169.061864 132.9
[M+NH4]+ 188.102963 152.4
[M+K]+ 209.032298 140.9
[M+H-H2O]+ 153.066400 127.8
[M+HCOO]- 215.067341 154.3
[M+CH3COO]- 229.082991 172.5
[M+Na-2H]- 191.043806 137.1
[M]+ 170.06859142 134.0
[M]- 170.06968858 134.0
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

patents stripe