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

3918
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.