CID 101268

2-(isopropylthio)ethanol

Structural Information

Molecular Formula
C5H12OS
SMILES
CC(C)SCCO
InChI
InChI=1S/C5H12OS/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
InChIKey
QGONIKZRWOOHBB-UHFFFAOYSA-N
Compound name
2-propan-2-ylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

120.06088 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06816 124.7
[M+Na]+ 143.05010 134.4
[M+NH4]+ 138.09470 133.5
[M+K]+ 159.02404 127.4
[M-H]- 119.05360 124.4
[M+Na-2H]- 141.03555 127.6
[M]+ 120.06033 126.3
[M]- 120.06143 126.3
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