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]+ 175.115106 139.3
[M+Na]+ 197.097048 145.3
[M-H]- 173.100554 143.4
[M+NH4]+ 192.141653 162.6
[M+K]+ 213.070988 146.0
[M+H-H2O]+ 157.105090 135.4
[M+HCOO]- 219.106031 153.8
[M+CH3COO]- 233.121681 179.3
[M+Na-2H]- 195.082496 140.0
[M]+ 174.10728142 140.5
[M]- 174.10837858 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.