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]+ 167.073636 134.9
[M+Na]+ 189.055578 141.8
[M-H]- 165.059084 134.1
[M+NH4]+ 184.100183 155.4
[M+K]+ 205.029518 141.1
[M+H-H2O]+ 149.063620 130.6
[M+HCOO]- 211.064561 150.0
[M+CH3COO]- 225.080211 174.6
[M+Na-2H]- 187.041026 137.5
[M]+ 166.06581142 138.8
[M]- 166.06690858 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.