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

55
Patents

148.0558 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06308 130.0
[M+Na]+ 171.04502 137.0
[M-H]- 147.04852 134.3
[M+NH4]+ 166.08962 152.3
[M+K]+ 187.01896 137.5
[M+H-H2O]+ 131.05306 125.4
[M+HCOO]- 193.05400 146.9
[M+CH3COO]- 207.06965 171.0
[M+Na-2H]- 169.03047 131.8
[M]+ 148.05525 131.1
[M]- 148.05635 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