CID 237336

Ethyl 2-(4-methyl-1h-imidazol-1-yl)acetate

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)CN1C=C(N=C1)C
InChI
InChI=1S/C8H12N2O2/c1-3-12-8(11)5-10-4-7(2)9-6-10/h4,6H,3,5H2,1-2H3
InChIKey
PDRSVDAPBJIQNT-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylimidazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

33
Patents

168.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.2
[M+Na]+ 191.079088 143.9
[M-H]- 167.082594 136.4
[M+NH4]+ 186.123693 155.0
[M+K]+ 207.053028 143.3
[M+H-H2O]+ 151.087130 128.2
[M+HCOO]- 213.088071 157.9
[M+CH3COO]- 227.103721 178.2
[M+Na-2H]- 189.064536 139.6
[M]+ 168.08932142 138.3
[M]- 168.09041858 138.3
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