CID 13233

2,2,4,4,6,6-hexamethyl-1,3,5-trithiane

Structural Information

Molecular Formula
C9H18S3
SMILES
CC1(SC(SC(S1)(C)C)(C)C)C
InChI
InChI=1S/C9H18S3/c1-7(2)10-8(3,4)12-9(5,6)11-7/h1-6H3
InChIKey
NBNWHQAWKFYFKI-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6-hexamethyl-1,3,5-trithiane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

370
Patents

222.05707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06435 134.8
[M+Na]+ 245.04629 141.9
[M-H]- 221.04979 136.5
[M+NH4]+ 240.09089 158.7
[M+K]+ 261.02023 138.1
[M+H-H2O]+ 205.05433 132.1
[M+HCOO]- 267.05527 137.4
[M+CH3COO]- 281.07092 188.6
[M+Na-2H]- 243.03174 138.1
[M]+ 222.05652 135.0
[M]- 222.05762 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.