CID 548390

[(methylthio)methyl]oxirane

Structural Information

Molecular Formula
C4H8OS
SMILES
CSCC1CO1
InChI
InChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3
InChIKey
OSIXFNQHNPOVIA-UHFFFAOYSA-N
Compound name
2-(methylsulfanylmethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

104.02959 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.03687 114.8
[M+Na]+ 127.01881 124.8
[M-H]- 103.02231 120.8
[M+NH4]+ 122.06341 132.5
[M+K]+ 142.99275 124.9
[M+H-H2O]+ 87.026850 109.0
[M+HCOO]- 149.02779 133.8
[M+CH3COO]- 163.04344 169.4
[M+Na-2H]- 125.00426 121.2
[M]+ 104.02904 120.4
[M]- 104.03014 120.4
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