CID 16494776

855250-27-0

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CC1=CN=C(N1)CN

InChI

InChI=1S/C5H9N3/c1-4-3-7-5(2-6)8-4/h3H,2,6H2,1H3,(H,7,8)

InChIKey

WNGIFGULXSOHIO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 111.07965 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]+	112.08693	120.8
[M+Na]+	134.06887	131.3
[M+NH4]+	129.11347	128.6
[M+K]+	150.04281	128.1
[M-H]-	110.07237	121.2
[M+Na-2H]-	132.05432	126.2
[M]+	111.07910	122.1
[M]-	111.08020	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe