CID 318417

500890-03-9

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)C1=C(NC(=N1)C)C
InChI
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-6(3)10-7/h4H2,1-3H3,(H,9,10)
InChIKey
YPOXNCMNUICELH-UHFFFAOYSA-N
Compound name
ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

168.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.6
[M+Na]+ 191.079088 144.8
[M-H]- 167.082594 135.8
[M+NH4]+ 186.123693 155.1
[M+K]+ 207.053028 143.2
[M+H-H2O]+ 151.087130 129.2
[M+HCOO]- 213.088071 156.8
[M+CH3COO]- 227.103721 176.7
[M+Na-2H]- 189.064536 138.8
[M]+ 168.08932142 137.2
[M]- 168.09041858 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe