CID 99731

40283-55-4

Structural Information

Molecular Formula
C8H16N2O3S2
SMILES
C1CCC(CC1)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C8H16N2O3S2/c9-8(6-14-15(11,12)13)10-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10)(H,11,12,13)
InChIKey
DSKDIOZEEJPDAJ-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06024 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.067516 153.0
[M+Na]+ 275.049458 156.2
[M-H]- 251.052964 154.0
[M+NH4]+ 270.094063 168.8
[M+K]+ 291.023398 152.3
[M+H-H2O]+ 235.057500 146.5
[M+HCOO]- 297.058441 162.1
[M+CH3COO]- 311.074091 191.4
[M+Na-2H]- 273.034906 153.8
[M]+ 252.05969142 149.5
[M]- 252.06078858 149.5
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.