CID 38673

(2-((2-aminoethyl)dithio)ethyl)guanidine dihydriodide

Structural Information

Molecular Formula

C₅H₁₄N₄S₂

SMILES

C(CSSCCN=C(N)N)N

InChI

InChI=1S/C5H14N4S2/c6-1-3-10-11-4-2-9-5(7)8/h1-4,6H2,(H4,7,8,9)

InChIKey

YBCKKIUZFUHOMZ-UHFFFAOYSA-N

Compound name

2-[2-(2-aminoethyldisulfanyl)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.066 Da
Monoisotopic Mass: -1.6
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]+	195.07328	136.2
[M+Na]+	217.05522	140.5
[M-H]-	193.05872	135.2
[M+NH4]+	212.09982	154.3
[M+K]+	233.02916	136.3
[M+H-H2O]+	177.06326	128.6
[M+HCOO]-	239.06420	150.6
[M+CH3COO]-	253.07985	192.5
[M+Na-2H]-	215.04067	136.1
[M]+	194.06545	133.6
[M]-	194.06655	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe