CID 430667

2-(1h-imidazol-1-yl)ethanamine

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1=CN(C=N1)CCN

InChI

InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2

InChIKey

YCIRHAGYEUJTFH-UHFFFAOYSA-N

Compound name

2-imidazol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1924
Patents: 111.07965 Da
Monoisotopic Mass: -1.0
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	120.3
[M+Na]+	134.06887	128.4
[M-H]-	110.07237	120.8
[M+NH4]+	129.11347	141.6
[M+K]+	150.04281	127.3
[M+H-H2O]+	94.076910	113.1
[M+HCOO]-	156.07785	144.7
[M+CH3COO]-	170.09350	168.9
[M+Na-2H]-	132.05432	127.6
[M]+	111.07910	118.7
[M]-	111.08020	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe