CID 57953828

1195782-03-6

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)C1=C(N=CN1C2CC2)N

InChI

InChI=1S/C9H13N3O2/c1-2-14-9(13)7-8(10)11-5-12(7)6-3-4-6/h5-6H,2-4,10H2,1H3

InChIKey

GYPPHDNSNKQBCH-UHFFFAOYSA-N

Compound name

ethyl 5-amino-3-cyclopropylimidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 195.10077 Da
Monoisotopic Mass: 1.2
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	144.0
[M+Na]+	218.08999	155.2
[M+NH4]+	213.13459	151.2
[M+K]+	234.06393	154.0
[M-H]-	194.09349	151.8
[M+Na-2H]-	216.07544	151.1
[M]+	195.10022	148.6
[M]-	195.10132	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe