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 165.0
[M+Na]+ 317.09640 166.9
[M-H]- 293.09990 165.4
[M+NH4]+ 312.14100 179.2
[M+K]+ 333.07034 162.4
[M+H-H2O]+ 277.10444 158.0
[M+HCOO]- 339.10538 173.2
[M+CH3COO]- 353.12103 200.3
[M+Na-2H]- 315.08185 164.7
[M]+ 294.10663 162.6
[M]- 294.10773 162.6
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.