CID 61802649

211929-24-7

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CCC1=NC(=C(N1)C(=O)OCC)N

InChI

InChI=1S/C8H13N3O2/c1-3-5-10-6(7(9)11-5)8(12)13-4-2/h3-4,9H2,1-2H3,(H,10,11)

InChIKey

JKISHTWKEWBROE-UHFFFAOYSA-N

Compound name

ethyl 4-amino-2-ethyl-1H-imidazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 183.10077 Da
Monoisotopic Mass: 1.7
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]+	184.10805	140.4
[M+Na]+	206.08999	149.4
[M+NH4]+	201.13459	146.1
[M+K]+	222.06393	147.5
[M-H]-	182.09349	139.2
[M+Na-2H]-	204.07544	143.2
[M]+	183.10022	140.8
[M]-	183.10132	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe