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
2
Annotation Hits

0
References

97
Patents

104.02959 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.036866 114.8
[M+Na]+ 127.018808 124.8
[M-H]- 103.022314 120.8
[M+NH4]+ 122.063413 132.5
[M+K]+ 142.992748 124.9
[M+H-H2O]+ 87.026850 109.0
[M+HCOO]- 149.027791 133.8
[M+CH3COO]- 163.043441 169.4
[M+Na-2H]- 125.004256 121.2
[M]+ 104.02904142 120.4
[M]- 104.03013858 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