CID 15117

1469-73-4

Structural Information

Molecular Formula
C3H6O3S
SMILES
CC1COS(=O)O1
InChI
InChI=1S/C3H6O3S/c1-3-2-5-7(4)6-3/h3H,2H2,1H3
InChIKey
SJHAYVFVKRXMKG-UHFFFAOYSA-N
Compound name
4-methyl-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7597
Patents

122.00377 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.01105 120.2
[M+Na]+ 144.99299 130.7
[M+NH4]+ 140.03759 129.1
[M+K]+ 160.96693 126.8
[M-H]- 120.99649 123.6
[M+Na-2H]- 142.97844 123.0
[M]+ 122.00322 123.0
[M]- 122.00432 123.0
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