CID 28673

17643-70-8

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]+ 133.068156 127.1
[M+Na]+ 155.050098 133.9
[M-H]- 131.053604 131.4
[M+NH4]+ 150.094703 150.2
[M+K]+ 171.024038 134.7
[M+H-H2O]+ 115.058140 122.6
[M+HCOO]- 177.059081 143.6
[M+CH3COO]- 191.074731 169.9
[M+Na-2H]- 153.035546 128.9
[M]+ 132.06033142 127.5
[M]- 132.06142858 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