CID 65092

1,3-oxathiolane

Structural Information

Molecular Formula
C3H6OS
SMILES
C1CSCO1
InChI
InChI=1S/C3H6OS/c1-2-5-3-4-1/h1-3H2
InChIKey
WJJSZTJGFCFNKI-UHFFFAOYSA-N
Compound name
1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

19487
Patents

90.01394 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.021216 113.2
[M+Na]+ 113.003158 120.7
[M-H]- 89.006664 117.6
[M+NH4]+ 108.047763 137.7
[M+K]+ 128.977098 121.9
[M+H-H2O]+ 73.011200 109.0
[M+HCOO]- 135.012141 131.8
[M+CH3COO]- 149.027791 159.0
[M+Na-2H]- 110.988606 118.3
[M]+ 90.01339142 112.7
[M]- 90.01448858 112.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe