CID 78925

2-(methylthio)ethanol

Structural Information

Molecular Formula
C3H8OS
SMILES
CSCCO
InChI
InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKey
WBBPRCNXBQTYLF-UHFFFAOYSA-N
Compound name
2-methylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

5027
Patents

92.02959 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.036866 114.7
[M+Na]+ 115.01881 122.8
[M-H]- 91.022314 114.3
[M+NH4]+ 110.06341 138.3
[M+K]+ 130.99275 121.9
[M+H-H2O]+ 75.026850 110.8
[M+HCOO]- 137.02779 132.7
[M+CH3COO]- 151.04344 161.4
[M+Na-2H]- 113.00426 119.2
[M]+ 92.029041 116.5
[M]- 92.030139 116.5
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