CID 21773712

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

Structural Information

Molecular Formula
C10H20S3
SMILES
CC(C)CC1SC(SS1)CC(C)C
InChI
InChI=1S/C10H20S3/c1-7(2)5-9-11-10(13-12-9)6-8(3)4/h7-10H,5-6H2,1-4H3
InChIKey
KDWIVNVANGCLCA-UHFFFAOYSA-N
Compound name
3,5-bis(2-methylpropyl)-1,2,4-trithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

236.07271 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07999 151.2
[M+Na]+ 259.06193 156.8
[M-H]- 235.06543 153.3
[M+NH4]+ 254.10653 171.1
[M+K]+ 275.03587 152.5
[M+H-H2O]+ 219.06997 146.0
[M+HCOO]- 281.07091 153.9
[M+CH3COO]- 295.08656 192.4
[M+Na-2H]- 257.04738 145.4
[M]+ 236.07216 151.4
[M]- 236.07326 151.4
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