CID 28673

2-isopropyl-1,3-oxathiolane

Structural Information

Molecular Formula
C6H12OS
SMILES
CC(C)C1OCCS1
InChI
InChI=1S/C6H12OS/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3
InChIKey
JTGZVABCBHZNLP-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

132.06088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 127.1
[M+Na]+ 155.05010 133.9
[M-H]- 131.05360 131.4
[M+NH4]+ 150.09470 150.2
[M+K]+ 171.02404 134.7
[M+H-H2O]+ 115.05814 122.6
[M+HCOO]- 177.05908 143.6
[M+CH3COO]- 191.07473 169.9
[M+Na-2H]- 153.03555 128.9
[M]+ 132.06033 127.5
[M]- 132.06143 127.5
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

patents stripe