CID 218155

40283-62-3

Structural Information

Molecular Formula
C11H22N2O3S2
SMILES
C1CCCC(CC1)CCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C11H22N2O3S2/c12-11(9-17-18(14,15)16)13-8-7-10-5-3-1-2-4-6-10/h10H,1-9H2,(H2,12,13)(H,14,15,16)
InChIKey
CYMGNLQIIHMKDZ-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylcycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11446 166.7
[M+Na]+ 317.09640 165.5
[M-H]- 293.09990 167.9
[M+NH4]+ 312.14100 179.2
[M+K]+ 333.07034 167.1
[M+H-H2O]+ 277.10444 159.2
[M+HCOO]- 339.10538 174.1
[M+CH3COO]- 353.12103 200.9
[M+Na-2H]- 315.08185 165.0
[M]+ 294.10663 160.5
[M]- 294.10773 160.5
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.