CID 218172

40284-01-3

Structural Information

Molecular Formula
C10H20N2O3S3
SMILES
C1CCC(CC1)SCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C10H20N2O3S3/c11-10(8-17-18(13,14)15)12-6-7-16-9-4-2-1-3-5-9/h9H,1-8H2,(H2,11,12)(H,13,14,15)
InChIKey
WIAALPGBRQCFDY-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0636 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07088 163.1
[M+Na]+ 335.05282 166.7
[M+NH4]+ 330.09742 169.2
[M+K]+ 351.02676 158.5
[M-H]- 311.05632 163.1
[M+Na-2H]- 333.03827 163.8
[M]+ 312.06305 164.4
[M]- 312.06415 164.4
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.