CID 529379

3-methyl-1,2,4-trithiolane

Structural Information

Molecular Formula
C3H6S3
SMILES
CC1SCSS1
InChI
InChI=1S/C3H6S3/c1-3-4-2-5-6-3/h3H,2H2,1H3
InChIKey
PWVJWPKTQMWOIH-UHFFFAOYSA-N
Compound name
3-methyl-1,2,4-trithiolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

137.96317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.97045 121.9
[M+Na]+ 160.95239 130.9
[M+NH4]+ 155.99699 132.9
[M+K]+ 176.92633 121.6
[M-H]- 136.95589 124.8
[M+Na-2H]- 158.93784 124.8
[M]+ 137.96262 125.3
[M]- 137.96372 125.3
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

No patent data available for this compound.