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

8848
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 117.8
[M+Na]+ 144.99299 127.2
[M-H]- 120.99649 123.5
[M+NH4]+ 140.03759 140.2
[M+K]+ 160.96693 129.4
[M+H-H2O]+ 105.00103 114.2
[M+HCOO]- 167.00197 136.2
[M+CH3COO]- 181.01762 164.4
[M+Na-2H]- 142.97844 122.8
[M]+ 122.00322 120.8
[M]- 122.00432 120.8
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