CID 176243

2027-53-4

Structural Information

Molecular Formula

C₅H₁₁N₃

SMILES

C1CN(C=N1)CCN

InChI

InChI=1S/C5H11N3/c6-1-3-8-4-2-7-5-8/h5H,1-4,6H2

InChIKey

HUVYLRHAZAEUHY-UHFFFAOYSA-N

Compound name

2-(4,5-dihydroimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 336
Patents: 113.0953 Da
Monoisotopic Mass: -1.5
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]+	114.102576	122.3
[M+Na]+	136.084518	129.4
[M-H]-	112.088024	122.5
[M+NH4]+	131.129123	143.5
[M+K]+	152.058458	128.6
[M+H-H2O]+	96.092560	115.1
[M+HCOO]-	158.093501	145.3
[M+CH3COO]-	172.109151	169.2
[M+Na-2H]-	134.069966	128.6
[M]+	113.09475142	119.3
[M]-	113.09584858	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe