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: 2861
Patents: 166.07423 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	167.08151	136.8
[M+Na]+	189.06345	146.7
[M+NH4]+	184.10805	143.0
[M+K]+	205.03739	143.5
[M-H]-	165.06695	135.2
[M+Na-2H]-	187.04890	140.7
[M]+	166.07368	137.3
[M]-	166.07478	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe