CID 99185

40283-58-7

Structural Information

Molecular Formula
C11H22N2O3S2
SMILES
C1CCC(CC1)CCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C11H22N2O3S2/c12-11(9-17-18(14,15)16)13-8-4-7-10-5-2-1-3-6-10/h10H,1-9H2,(H2,12,13)(H,14,15,16)
InChIKey
HGWIZOCGEBLKOS-UHFFFAOYSA-N
Compound name
3-[(1-amino-2-sulfosulfanylethylidene)amino]propylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11446 164.0
[M+Na]+ 317.09640 168.3
[M+NH4]+ 312.14100 169.9
[M+K]+ 333.07034 161.2
[M-H]- 293.09990 163.9
[M+Na-2H]- 315.08185 165.1
[M]+ 294.10663 164.9
[M]- 294.10773 164.9
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.