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 154.7
[M+Na]+ 279.08074 158.6
[M-H]- 255.08424 151.5
[M+NH4]+ 274.12534 170.0
[M+K]+ 295.05468 153.5
[M+H-H2O]+ 239.08878 147.9
[M+HCOO]- 301.08972 165.3
[M+CH3COO]- 315.10537 193.0
[M+Na-2H]- 277.06619 155.5
[M]+ 256.09097 156.6
[M]- 256.09207 156.6
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.