CID 218157

40283-64-5

Structural Information

Molecular Formula
C11H22N2O3S2
SMILES
C1CCCC(CCC1)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C11H22N2O3S2/c12-11(9-17-18(14,15)16)13-8-10-6-4-2-1-3-5-7-10/h10H,1-9H2,(H2,12,13)(H,14,15,16)
InChIKey
WAZJRDVLNOHWSD-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]methylcyclooctane
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 154.1
[M+Na]+ 317.09640 157.0
[M-H]- 293.09990 154.8
[M+NH4]+ 312.14100 160.8
[M+K]+ 333.07034 156.3
[M+H-H2O]+ 277.10444 150.4
[M+HCOO]- 339.10538 158.1
[M+CH3COO]- 353.12103 229.4
[M+Na-2H]- 315.08185 152.7
[M]+ 294.10663 152.7
[M]- 294.10773 152.7
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.