CID 23262324

2,4,6-trimethyl-1,3,5-dioxathiane

Structural Information

Molecular Formula
C6H12O2S
SMILES
CC1OC(SC(O1)C)C
InChI
InChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey
WUHFWXZFUPGXHX-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1,3,5-dioxathiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.0558 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.063076 127.6
[M+Na]+ 171.045018 135.3
[M-H]- 147.048524 132.9
[M+NH4]+ 166.089623 147.4
[M+K]+ 187.018958 136.8
[M+H-H2O]+ 131.053060 122.9
[M+HCOO]- 193.054001 142.4
[M+CH3COO]- 207.069651 173.6
[M+Na-2H]- 169.030466 131.7
[M]+ 148.05525142 129.0
[M]- 148.05634858 129.0
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

No patent data available for this compound.