CID 54181372

4-(methylsulfanyl)oxane

Structural Information

Molecular Formula
C6H12OS
SMILES
CSC1CCOCC1
InChI
InChI=1S/C6H12OS/c1-8-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKey
DZLVZPDSFCHVDI-UHFFFAOYSA-N
Compound name
4-methylsulfanyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

132.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06816 124.8
[M+Na]+ 155.05010 130.6
[M-H]- 131.05360 128.7
[M+NH4]+ 150.09470 145.9
[M+K]+ 171.02404 130.9
[M+H-H2O]+ 115.05814 119.7
[M+HCOO]- 177.05908 140.2
[M+CH3COO]- 191.07473 169.2
[M+Na-2H]- 153.03555 129.2
[M]+ 132.06033 123.5
[M]- 132.06143 123.5
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