CID 90144

23545-56-4

Structural Information

Molecular Formula
C5H14N2O3S2
SMILES
C(CN)CNCCSS(=O)(=O)O
InChI
InChI=1S/C5H14N2O3S2/c6-2-1-3-7-4-5-11-12(8,9)10/h7H,1-6H2,(H,8,9,10)
InChIKey
YKIKOCNWLKZJKS-UHFFFAOYSA-N
Compound name
1-amino-3-(2-sulfosulfanylethylamino)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04459 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.051866 142.6
[M+Na]+ 237.033808 147.9
[M-H]- 213.037314 140.0
[M+NH4]+ 232.078413 159.6
[M+K]+ 253.007748 143.4
[M+H-H2O]+ 197.041850 136.4
[M+HCOO]- 259.042791 154.2
[M+CH3COO]- 273.058441 184.2
[M+Na-2H]- 235.019256 144.6
[M]+ 214.04404142 143.5
[M]- 214.04513858 143.5
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.