CID 213237

25841-37-6

Structural Information

Molecular Formula
C5H12O2S
SMILES
CC(C)(CO)S(=O)C
InChI
InChI=1S/C5H12O2S/c1-5(2,4-6)8(3)7/h6H,4H2,1-3H3
InChIKey
WMQJISWTXNKOBA-UHFFFAOYSA-N
Compound name
2-methyl-2-methylsulfinylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.0558 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.063076 127.0
[M+Na]+ 159.045018 134.5
[M-H]- 135.048524 126.5
[M+NH4]+ 154.089623 148.8
[M+K]+ 175.018958 133.7
[M+H-H2O]+ 119.053060 123.2
[M+HCOO]- 181.054001 142.2
[M+CH3COO]- 195.069651 169.6
[M+Na-2H]- 157.030466 130.0
[M]+ 136.05525142 129.1
[M]- 136.05634858 129.1
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

No patent data available for this compound.