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]+ 281.098796 152.1
[M+Na]+ 303.080738 155.2
[M-H]- 279.084244 152.9
[M+NH4]+ 298.125343 159.0
[M+K]+ 319.054678 154.5
[M+H-H2O]+ 263.088780 148.4
[M+HCOO]- 325.089721 156.2
[M+CH3COO]- 339.105371 228.2
[M+Na-2H]- 301.066186 150.9
[M]+ 280.09097142 150.5
[M]- 280.09206858 150.5
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.