CID 147172

Ethyl 3-(1h-imidazol-5-yl)prop-2-enoate

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCOC(=O)C=CC1=CN=CN1
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)4-3-7-5-9-6-10-7/h3-6H,2H2,1H3,(H,9,10)
InChIKey
HPMLGOFBKNGJAM-UHFFFAOYSA-N
Compound name
ethyl 3-(1H-imidazol-5-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3637
Patents

166.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 135.7
[M+Na]+ 189.06345 143.4
[M-H]- 165.06695 135.1
[M+NH4]+ 184.10805 154.5
[M+K]+ 205.03739 141.2
[M+H-H2O]+ 149.07149 128.6
[M+HCOO]- 211.07243 157.0
[M+CH3COO]- 225.08808 172.9
[M+Na-2H]- 187.04890 140.2
[M]+ 166.07368 135.7
[M]- 166.07478 135.7
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