CID 165365564

Dtxsid401044100

Structural Information

Molecular Formula
C7H12S4
SMILES
C1CSCSC12CCSCS2
InChI
InChI=1S/C7H12S4/c1-3-8-5-10-7(1)2-4-9-6-11-7/h1-6H2
InChIKey
PFCFBGCOSJXGLR-UHFFFAOYSA-N
Compound name
1,3,7,9-tetrathiaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.98218 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.98946 142.6
[M+Na]+ 246.97140 147.1
[M-H]- 222.97490 143.8
[M+NH4]+ 242.01600 161.5
[M+K]+ 262.94534 140.6
[M+H-H2O]+ 206.97944 138.0
[M+HCOO]- 268.98038 138.6
[M+CH3COO]- 282.99603 151.0
[M+Na-2H]- 244.95685 145.0
[M]+ 223.98163 133.4
[M]- 223.98273 133.4
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.