CID 135779061

Ethyl 5h,6h,7h,8h-imidazo[1,2-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)C1=CN2CCCNC2=N1

InChI

InChI=1S/C9H13N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h6H,2-5H2,1H3,(H,10,11)

InChIKey

QLUHDKGNAMXJOV-UHFFFAOYSA-N

Compound name

ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.10077 Da
Monoisotopic Mass: 0.9
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]+	196.10805	143.3
[M+Na]+	218.08999	150.4
[M-H]-	194.09349	141.9
[M+NH4]+	213.13459	160.6
[M+K]+	234.06393	148.1
[M+H-H2O]+	178.09803	135.4
[M+HCOO]-	240.09897	159.7
[M+CH3COO]-	254.11462	179.6
[M+Na-2H]-	216.07544	147.5
[M]+	195.10022	141.3
[M]-	195.10132	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe