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

0
Patents

194.066 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.