CID 3042502

59795-19-6

Structural Information

Molecular Formula
C7H18S2
SMILES
C[S+](C)CCC[S+](C)C
InChI
InChI=1S/C7H18S2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3/q+2
InChIKey
BDALBUQEKWQKFM-UHFFFAOYSA-N
Compound name
3-dimethylsulfoniopropyl(dimethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.08499 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09227 127.9
[M+Na]+ 189.07421 133.7
[M-H]- 165.07771 128.7
[M+NH4]+ 184.11881 148.3
[M+K]+ 205.04815 121.6
[M+H-H2O]+ 149.08225 128.2
[M+HCOO]- 211.08319 137.2
[M+CH3COO]- 225.09884 169.5
[M+Na-2H]- 187.05966 130.6
[M]+ 166.08444 127.5
[M]- 166.08554 127.5
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.