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: 69
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]+	112.086926	121.1
[M+Na]+	134.068868	129.9
[M-H]-	110.072374	120.7
[M+NH4]+	129.113473	142.1
[M+K]+	150.042808	127.7
[M+H-H2O]+	94.076910	114.6
[M+HCOO]-	156.077851	144.0
[M+CH3COO]-	170.093501	167.3
[M+Na-2H]-	132.054316	127.2
[M]+	111.07910142	118.0
[M]-	111.08019858	118.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe