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 139.3
[M+Na]+ 197.09705 145.3
[M-H]- 173.10055 143.4
[M+NH4]+ 192.14165 162.6
[M+K]+ 213.07099 146.0
[M+H-H2O]+ 157.10509 135.4
[M+HCOO]- 219.10603 153.8
[M+CH3COO]- 233.12168 179.3
[M+Na-2H]- 195.08250 140.0
[M]+ 174.10728 140.5
[M]- 174.10838 140.5
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.