CID 23151625

2-(4-methyl-1h-imidazol-2-yl)acetonitrile

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

CC1=CN=C(N1)CC#N

InChI

InChI=1S/C6H7N3/c1-5-4-8-6(9-5)2-3-7/h4H,2H2,1H3,(H,8,9)

InChIKey

XZZORRSDKILMNA-UHFFFAOYSA-N

Compound name

2-(5-methyl-1H-imidazol-2-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 121.063995 Da
Monoisotopic Mass: 0.2
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]+	122.07127	125.1
[M+Na]+	144.05321	136.2
[M+NH4]+	139.09782	129.5
[M+K]+	160.02715	129.2
[M-H]-	120.05672	118.0
[M+Na-2H]-	142.03866	128.3
[M]+	121.06345	123.6
[M]-	121.06454	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe