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 134.9
[M+Na]+ 189.05558 141.8
[M-H]- 165.05908 134.1
[M+NH4]+ 184.10018 155.4
[M+K]+ 205.02952 141.1
[M+H-H2O]+ 149.06362 130.6
[M+HCOO]- 211.06456 150.0
[M+CH3COO]- 225.08021 174.6
[M+Na-2H]- 187.04103 137.5
[M]+ 166.06581 138.8
[M]- 166.06691 138.8
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.