CID 90949

S-2-((3-aminopropyl)amino)propyl hydrogen thiosulfate hydrochloride

Structural Information

Molecular Formula
C6H16N2O3S2
SMILES
CC(CSS(=O)(=O)O)NCCCN
InChI
InChI=1S/C6H16N2O3S2/c1-6(8-4-2-3-7)5-12-13(9,10)11/h6,8H,2-5,7H2,1H3,(H,9,10,11)
InChIKey
YYRMCWSCVSQOOM-UHFFFAOYSA-N
Compound name
2-(3-aminopropylamino)-1-sulfosulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06024 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06752 149.2
[M+Na]+ 251.04946 153.6
[M+NH4]+ 246.09406 154.7
[M+K]+ 267.02340 147.8
[M-H]- 227.05296 146.8
[M+Na-2H]- 249.03491 148.7
[M]+ 228.05969 149.5
[M]- 228.06079 149.5
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.