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

380
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

literature stripe

Patent stripe

patents stripe