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]+ 215.05187 142.6
[M+Na]+ 237.03381 147.9
[M-H]- 213.03731 140.0
[M+NH4]+ 232.07841 159.6
[M+K]+ 253.00775 143.4
[M+H-H2O]+ 197.04185 136.4
[M+HCOO]- 259.04279 154.2
[M+CH3COO]- 273.05844 184.2
[M+Na-2H]- 235.01926 144.6
[M]+ 214.04404 143.5
[M]- 214.04514 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.