CID 32033

3,5-dimethyl-1,2,4-trithiolane

Structural Information

Molecular Formula
C4H8S3
SMILES
CC1SC(SS1)C
InChI
InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3
InChIKey
HFRUNLRFNNTTPQ-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,2,4-trithiolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

187
Patents

151.97882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.98610 126.5
[M+Na]+ 174.96804 135.6
[M-H]- 150.97154 129.8
[M+NH4]+ 170.01264 149.9
[M+K]+ 190.94198 131.8
[M+H-H2O]+ 134.97608 122.3
[M+HCOO]- 196.97702 133.3
[M+CH3COO]- 210.99267 173.9
[M+Na-2H]- 172.95349 124.7
[M]+ 151.97827 125.8
[M]- 151.97937 125.8
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

patents stripe