CID 27656

2,2-diisopropyl-1,3-oxathiolane

Structural Information

Molecular Formula
C9H18OS
SMILES
CC(C)C1(OCCS1)C(C)C
InChI
InChI=1S/C9H18OS/c1-7(2)9(8(3)4)10-5-6-11-9/h7-8H,5-6H2,1-4H3
InChIKey
OBNXFRXTSJYKSV-UHFFFAOYSA-N
Compound name
2,2-di(propan-2-yl)-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11511 140.3
[M+Na]+ 197.09705 149.1
[M+NH4]+ 192.14165 150.9
[M+K]+ 213.07099 142.4
[M-H]- 173.10055 142.9
[M+Na-2H]- 195.08250 144.4
[M]+ 174.10728 142.8
[M]- 174.10838 142.8
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

No patent data available for this compound.