CID 543690

Methyl 2-methylpropane-2-sulfinate

Structural Information

Molecular Formula
C5H12O2S
SMILES
CC(C)(C)S(=O)OC
InChI
InChI=1S/C5H12O2S/c1-5(2,3)8(6)7-4/h1-4H3
InChIKey
UDOZDJCVDZEJAT-UHFFFAOYSA-N
Compound name
methyl 2-methylpropane-2-sulfinate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

136.0558 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.06308 129.4
[M+Na]+ 159.04502 138.9
[M+NH4]+ 154.08962 137.4
[M+K]+ 175.01896 133.1
[M-H]- 135.04852 128.1
[M+Na-2H]- 157.03047 132.1
[M]+ 136.05525 130.7
[M]- 136.05635 130.7
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