CID 1128

Tetramethylene sulfoxide

Structural Information

Molecular Formula
C4H8OS
SMILES
C1CCS(=O)C1
InChI
InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
InChIKey
ISXOBTBCNRIIQO-UHFFFAOYSA-N
Compound name
thiolane 1-oxide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

11084
Patents

104.02959 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 118.9
[M+Na]+ 127.01881 129.0
[M+NH4]+ 122.06341 129.0
[M+K]+ 142.99275 123.0
[M-H]- 103.02231 120.7
[M+Na-2H]- 125.00426 123.5
[M]+ 104.02904 121.2
[M]- 104.03014 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