CID 90148

S-2-((6-aminohexyl)amino)ethyl hydrogen thiosulfate hydrobromide

Structural Information

Molecular Formula
C8H20N2O3S2
SMILES
C(CCCNCCSS(=O)(=O)O)CCN
InChI
InChI=1S/C8H20N2O3S2/c9-5-3-1-2-4-6-10-7-8-14-15(11,12)13/h10H,1-9H2,(H,11,12,13)
InChIKey
CDTHHDHDSPZVIG-UHFFFAOYSA-N
Compound name
1-amino-6-(2-sulfosulfanylethylamino)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09152 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09880 156.8
[M+Na]+ 279.08074 161.2
[M+NH4]+ 274.12534 162.1
[M+K]+ 295.05468 154.1
[M-H]- 255.08424 154.6
[M+Na-2H]- 277.06619 156.2
[M]+ 256.09097 157.2
[M]- 256.09207 157.2
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.