CID 51683332

(1s)-1-(1h-imidazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C[C@@H](C1=NC=CN1)N

InChI

InChI=1S/C5H9N3/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey

IIRFPANPYNPFMC-BYPYZUCNSA-N

Compound name

(1S)-1-(1H-imidazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	121.8
[M+Na]+	134.06887	129.3
[M-H]-	110.07237	121.1
[M+NH4]+	129.11347	142.4
[M+K]+	150.04281	127.7
[M+H-H2O]+	94.076910	115.0
[M+HCOO]-	156.07785	143.7
[M+CH3COO]-	170.09350	167.1
[M+Na-2H]-	132.05432	127.4
[M]+	111.07910	117.7
[M]-	111.08020	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe