CID 203869

Mtfso

Structural Information

Molecular Formula
C6H12O2S
SMILES
CS(=O)CC1CCCO1
InChI
InChI=1S/C6H12O2S/c1-9(7)5-6-3-2-4-8-6/h6H,2-5H2,1H3
InChIKey
WYWZVNWPUSRJDL-UHFFFAOYSA-N
Compound name
2-(methylsulfinylmethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

148.0558 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.063076 130.0
[M+Na]+ 171.045018 137.0
[M-H]- 147.048524 134.3
[M+NH4]+ 166.089623 152.3
[M+K]+ 187.018958 137.5
[M+H-H2O]+ 131.053060 125.4
[M+HCOO]- 193.054001 146.9
[M+CH3COO]- 207.069651 171.0
[M+Na-2H]- 169.030466 131.8
[M]+ 148.05525142 131.1
[M]- 148.05634858 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe