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 167.3
[M+Na]+ 335.05282 169.0
[M-H]- 311.05632 166.4
[M+NH4]+ 330.09742 180.1
[M+K]+ 351.02676 162.3
[M+H-H2O]+ 295.06086 160.1
[M+HCOO]- 357.06180 169.5
[M+CH3COO]- 371.07745 202.5
[M+Na-2H]- 333.03827 167.0
[M]+ 312.06305 163.6
[M]- 312.06415 163.6
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.