CID 218156

Brn 3969208

Structural Information

Molecular Formula
C10H20N2O3S2
SMILES
C1CCCC(CCC1)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C10H20N2O3S2/c11-10(8-16-17(13,14)15)12-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,11,12)(H,13,14,15)
InChIKey
RRXBGHRARYBGOA-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]cyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09152 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09880 145.6
[M+Na]+ 303.08074 147.3
[M+NH4]+ 298.12534 147.8
[M+K]+ 319.05468 146.8
[M-H]- 279.08424 145.8
[M+Na-2H]- 301.06619 147.9
[M]+ 280.09097 146.0
[M]- 280.09207 146.0
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.