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 152.1
[M+Na]+ 303.08074 155.2
[M-H]- 279.08424 152.9
[M+NH4]+ 298.12534 159.0
[M+K]+ 319.05468 154.5
[M+H-H2O]+ 263.08878 148.4
[M+HCOO]- 325.08972 156.2
[M+CH3COO]- 339.10537 228.2
[M+Na-2H]- 301.06619 150.9
[M]+ 280.09097 150.5
[M]- 280.09207 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.