CID 21886

2,2-dimethyl-1,3-oxathiolane

Structural Information

Molecular Formula
C5H10OS
SMILES
CC1(OCCS1)C
InChI
InChI=1S/C5H10OS/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKey
XLSCZCCJPDTCGU-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-oxathiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

118.045235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.052511 120.2
[M+Na]+ 141.034453 128.5
[M-H]- 117.037959 124.9
[M+NH4]+ 136.079058 145.9
[M+K]+ 157.008393 129.3
[M+H-H2O]+ 101.042495 116.8
[M+HCOO]- 163.043436 138.1
[M+CH3COO]- 177.059086 165.6
[M+Na-2H]- 139.019901 125.2
[M]+ 118.04468642 121.2
[M]- 118.04578358 121.2
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