CID 85447654

2,3-dimethyl-5,6-dithia-bicyclo[2.1.1]-hexane-5-oxide

Structural Information

Molecular Formula
C6H10S2
SMILES
CC1C(C2SC1S2)C
InChI
InChI=1S/C6H10S2/c1-3-4(2)6-7-5(3)8-6/h3-6H,1-2H3
InChIKey
YKHZXLJBTAIXHG-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5,6-dithiabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

146.0224 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02968 128.3
[M+Na]+ 169.01162 135.7
[M-H]- 145.01512 129.6
[M+NH4]+ 164.05622 151.4
[M+K]+ 184.98556 137.5
[M+H-H2O]+ 129.01966 122.2
[M+HCOO]- 191.02060 137.1
[M+CH3COO]- 205.03625 141.4
[M+Na-2H]- 166.99707 131.0
[M]+ 146.02185 143.8
[M]- 146.02295 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe