CID 19067927

4-cyclobutyl-1h-imidazole

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

C1CC(C1)C2=CN=CN2

InChI

InChI=1S/C7H10N2/c1-2-6(3-1)7-4-8-5-9-7/h4-6H,1-3H2,(H,8,9)

InChIKey

GDSUGNGWROJMJM-UHFFFAOYSA-N

Compound name

5-cyclobutyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 122.0844 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]+	123.09168	120.3
[M+Na]+	145.07362	126.6
[M-H]-	121.07712	122.8
[M+NH4]+	140.11822	134.4
[M+K]+	161.04756	127.4
[M+H-H2O]+	105.08166	108.6
[M+HCOO]-	167.08260	140.5
[M+CH3COO]-	181.09825	170.2
[M+Na-2H]-	143.05907	126.5
[M]+	122.08385	125.3
[M]-	122.08495	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe