CID 237336

Ethyl 2-(4-methylimidazol-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

38
Patents

168.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 136.3
[M+Na]+ 191.07909 147.1
[M+NH4]+ 186.12369 143.2
[M+K]+ 207.05303 144.0
[M-H]- 167.08259 135.6
[M+Na-2H]- 189.06454 140.8
[M]+ 168.08932 137.4
[M]- 168.09042 137.4
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