CID 18539818

4,4-dimethyl-1,3-oxathiane

Structural Information

Molecular Formula
C6H12OS
SMILES
CC1(CCOCS1)C
InChI
InChI=1S/C6H12OS/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3
InChIKey
JDRITSKIDKLYLK-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,3-oxathiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

132.06088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 123.7
[M+Na]+ 155.05010 130.3
[M-H]- 131.05360 127.9
[M+NH4]+ 150.09470 146.9
[M+K]+ 171.02404 131.0
[M+H-H2O]+ 115.05814 119.6
[M+HCOO]- 177.05908 139.1
[M+CH3COO]- 191.07473 168.8
[M+Na-2H]- 153.03555 129.6
[M]+ 132.06033 122.8
[M]- 132.06143 122.8
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

patents stripe