CID 17942383

2-cyclopropyl-1h-imidazole

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1CC1C2=NC=CN2

InChI

InChI=1S/C6H8N2/c1-2-5(1)6-7-3-4-8-6/h3-5H,1-2H2,(H,7,8)

InChIKey

MBQKTXUCJWIHQQ-UHFFFAOYSA-N

Compound name

2-cyclopropyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 343
Patents: 108.06875 Da
Monoisotopic Mass: 0.6
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]+	109.07603	123.3
[M+Na]+	131.05797	133.5
[M-H]-	107.06147	126.9
[M+NH4]+	126.10257	139.6
[M+K]+	147.03191	130.2
[M+H-H2O]+	91.066010	116.0
[M+HCOO]-	153.06695	145.9
[M+CH3COO]-	167.08260	136.9
[M+Na-2H]-	129.04342	130.2
[M]+	108.06820	122.9
[M]-	108.06930	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe