CID 275476

Octahydrocycloocta(d)(1,3)dithiol-2-imine

Structural Information

Molecular Formula
C9H15NS2
SMILES
C1CCCC2C(CC1)SC(=N)S2
InChI
InChI=1S/C9H15NS2/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h7-8,10H,1-6H2
InChIKey
BNADQSGHSXOPSJ-UHFFFAOYSA-N
Compound name
3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dithiol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06459 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07187 150.3
[M+Na]+ 224.05381 154.7
[M-H]- 200.05731 152.1
[M+NH4]+ 219.09841 160.4
[M+K]+ 240.02775 154.1
[M+H-H2O]+ 184.06185 147.3
[M+HCOO]- 246.06279 154.7
[M+CH3COO]- 260.07844 154.9
[M+Na-2H]- 222.03926 148.3
[M]+ 201.06404 148.2
[M]- 201.06514 148.2
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.