CID 59216

102107-32-4

Structural Information

Molecular Formula
C8H16S2
SMILES
CC1CSC(S1)(C)C(C)C
InChI
InChI=1S/C8H16S2/c1-6(2)8(4)9-5-7(3)10-8/h6-7H,5H2,1-4H3
InChIKey
FEBMSOAQOBLNRK-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-propan-2-yl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06934 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07662 135.4
[M+Na]+ 199.05856 143.0
[M-H]- 175.06206 138.9
[M+NH4]+ 194.10316 160.3
[M+K]+ 215.03250 140.9
[M+H-H2O]+ 159.06660 131.8
[M+HCOO]- 221.06754 145.9
[M+CH3COO]- 235.08319 179.7
[M+Na-2H]- 197.04401 134.1
[M]+ 176.06879 136.4
[M]- 176.06989 136.4
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.