CID 20915

2-(2-aminoethylmercapto)imidazoline bromide hydrobromide

Structural Information

Molecular Formula

C₅H₁₁N₃S

SMILES

C1CN=C(N1)SCCN

InChI

InChI=1S/C5H11N3S/c6-1-4-9-5-7-2-3-8-5/h1-4,6H2,(H,7,8)

InChIKey

HKWPLRVPEBQWCU-UHFFFAOYSA-N

Compound name

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 145.06737 Da
Monoisotopic Mass: -0.8
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]+	146.07465	128.7
[M+Na]+	168.05659	136.2
[M-H]-	144.06009	127.8
[M+NH4]+	163.10119	148.7
[M+K]+	184.03053	133.4
[M+H-H2O]+	128.06463	122.1
[M+HCOO]-	190.06557	145.0
[M+CH3COO]-	204.08122	169.8
[M+Na-2H]-	166.04204	131.0
[M]+	145.06682	126.1
[M]-	145.06792	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe