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]+ 149.06308 127.6
[M+Na]+ 171.04502 135.3
[M-H]- 147.04852 132.9
[M+NH4]+ 166.08962 147.4
[M+K]+ 187.01896 136.8
[M+H-H2O]+ 131.05306 122.9
[M+HCOO]- 193.05400 142.4
[M+CH3COO]- 207.06965 173.6
[M+Na-2H]- 169.03047 131.7
[M]+ 148.05525 129.0
[M]- 148.05635 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.