CID 29609

2,2'-methylenebis(2-methyl-1,3-dithiolane)

Structural Information

Molecular Formula
C9H16S4
SMILES
CC1(SCCS1)CC2(SCCS2)C
InChI
InChI=1S/C9H16S4/c1-8(10-3-4-11-8)7-9(2)12-5-6-13-9/h3-7H2,1-2H3
InChIKey
UFEDUSRDUHKQFT-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methyl-1,3-dithiolan-2-yl)methyl]-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02077 154.4
[M+Na]+ 275.00271 162.3
[M-H]- 251.00621 158.1
[M+NH4]+ 270.04731 177.9
[M+K]+ 290.97665 157.0
[M+H-H2O]+ 235.01075 151.9
[M+HCOO]- 297.01169 154.2
[M+CH3COO]- 311.02734 164.5
[M+Na-2H]- 272.98816 153.7
[M]+ 252.01294 151.3
[M]- 252.01404 151.3
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

patents stripe