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
5
Annotation Hits

0
References

362
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 142.4
[M+Na]+ 245.04629 151.7
[M+NH4]+ 240.09089 156.4
[M+K]+ 261.02023 136.0
[M-H]- 221.04979 145.2
[M+Na-2H]- 243.03174 150.6
[M]+ 222.05652 146.5
[M]- 222.05762 146.5
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

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