CID 43225

Brn 1635655

Structural Information

Molecular Formula
C10H18S4
SMILES
CC1(SCCS1)CCC2(SCCS2)C
InChI
InChI=1S/C10H18S4/c1-9(11-5-6-12-9)3-4-10(2)13-7-8-14-10/h3-8H2,1-2H3
InChIKey
PIQXBRLWWDSJMU-UHFFFAOYSA-N
Compound name
2-methyl-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02914 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03642 157.8
[M+Na]+ 289.01836 165.3
[M-H]- 265.02186 161.3
[M+NH4]+ 284.06296 180.8
[M+K]+ 304.99230 159.8
[M+H-H2O]+ 249.02640 155.2
[M+HCOO]- 311.02734 157.4
[M+CH3COO]- 325.04299 167.6
[M+Na-2H]- 287.00381 156.9
[M]+ 266.02859 155.0
[M]- 266.02969 155.0
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.