CID 132398718

6,7-dithiaspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C6H8OS2
SMILES
C1C(=O)CC12CSSC2
InChI
InChI=1S/C6H8OS2/c7-5-1-6(2-5)3-8-9-4-6/h1-4H2
InChIKey
CKSXZGVEFFHIOW-UHFFFAOYSA-N
Compound name
6,7-dithiaspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.00166 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00894 120.7
[M+Na]+ 182.99088 126.6
[M-H]- 158.99438 125.8
[M+NH4]+ 178.03548 139.2
[M+K]+ 198.96482 127.2
[M+H-H2O]+ 142.99892 111.7
[M+HCOO]- 204.99986 131.9
[M+CH3COO]- 219.01551 175.1
[M+Na-2H]- 180.97633 122.6
[M]+ 160.00111 128.3
[M]- 160.00221 128.3
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.