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 123.2
[M+Na]+ 160.95239 132.1
[M-H]- 136.95589 126.4
[M+NH4]+ 155.99699 147.0
[M+K]+ 176.92633 128.6
[M+H-H2O]+ 120.96043 119.0
[M+HCOO]- 182.96137 130.4
[M+CH3COO]- 196.97702 136.4
[M+Na-2H]- 158.93784 122.4
[M]+ 137.96262 121.9
[M]- 137.96372 121.9
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.