CID 57440768

2-amino-1-boc-imidazole

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CC(C)(C)OC(=O)N1C=CN=C1N

InChI

InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-5-4-10-6(11)9/h4-5H,1-3H3,(H2,9,10)

InChIKey

BXKYKASMZAUFCZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-aminoimidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 183.10077 Da
Monoisotopic Mass: 1.5
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	139.8
[M+Na]+	206.08999	148.7
[M+NH4]+	201.13459	145.8
[M+K]+	222.06393	147.6
[M-H]-	182.09349	138.6
[M+Na-2H]-	204.07544	143.5
[M]+	183.10022	140.3
[M]-	183.10132	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe