CID 4160985

Ethyl 2-(1-methyl-1h-imidazol-2-yl)-2-oxoacetate

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCOC(=O)C(=O)C1=NC=CN1C
InChI
InChI=1S/C8H10N2O3/c1-3-13-8(12)6(11)7-9-4-5-10(7)2/h4-5H,3H2,1-2H3
InChIKey
UFHSIGMMKGIGDH-UHFFFAOYSA-N
Compound name
ethyl 2-(1-methylimidazol-2-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

182.06914 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.8
[M+Na]+ 205.05836 145.5
[M-H]- 181.06186 138.2
[M+NH4]+ 200.10296 155.8
[M+K]+ 221.03230 145.2
[M+H-H2O]+ 165.06640 129.9
[M+HCOO]- 227.06734 158.9
[M+CH3COO]- 241.08299 180.2
[M+Na-2H]- 203.04381 140.1
[M]+ 182.06859 140.0
[M]- 182.06969 140.0
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