CID 73014

3,3,6,6-tetramethyl-1,2,4,5-tetrathiane

Structural Information

Molecular Formula
C6H12S4
SMILES
CC1(SSC(SS1)(C)C)C
InChI
InChI=1S/C6H12S4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3
InChIKey
UYBPFKOKBLMDPV-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-1,2,4,5-tetrathiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

211.98218 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98946 136.6
[M+Na]+ 234.97140 143.1
[M-H]- 210.97490 136.9
[M+NH4]+ 230.01600 157.6
[M+K]+ 250.94534 136.9
[M+H-H2O]+ 194.97944 132.9
[M+HCOO]- 256.98038 134.0
[M+CH3COO]- 270.99603 146.3
[M+Na-2H]- 232.95685 139.1
[M]+ 211.98163 132.8
[M]- 211.98273 132.8
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