CID 130538118

Sodium 3-methoxy-3-methylbutane-1-sulfinate

Structural Information

Molecular Formula
C6H14O3S
SMILES
CC(C)(CCS(=O)O)OC
InChI
InChI=1S/C6H14O3S/c1-6(2,9-3)4-5-10(7)8/h4-5H2,1-3H3,(H,7,8)
InChIKey
ZJHJVDNVQIUHJS-UHFFFAOYSA-N
Compound name
3-methoxy-3-methylbutane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06636 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07364 136.5
[M+Na]+ 189.05558 144.8
[M+NH4]+ 184.10018 143.5
[M+K]+ 205.02952 139.6
[M-H]- 165.05908 134.1
[M+Na-2H]- 187.04103 138.0
[M]+ 166.06581 137.3
[M]- 166.06691 137.3
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

No patent data available for this compound.