CID 121148

1669-98-3

Structural Information

Molecular Formula
C3H8OS
SMILES
CCS(=O)C
InChI
InChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3
InChIKey
VTRRCXRVEQTTOE-UHFFFAOYSA-N
Compound name
1-methylsulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4089
Patents

92.02959 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.036866 115.9
[M+Na]+ 115.01881 126.7
[M+NH4]+ 110.06341 125.2
[M+K]+ 130.99275 119.6
[M-H]- 91.022314 116.0
[M+Na-2H]- 113.00426 119.8
[M]+ 92.029041 117.8
[M]- 92.030139 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe