CID 15956346

2-[(2s,4s)-2,4-dimethyl-4-(methylthiomethoxy)oxolan-2-yl]acetic acid

Structural Information

Molecular Formula
C10H18O4S
SMILES
C[C@@]1(CC(OC1)(C)CC(=O)O)OCSC
InChI
InChI=1S/C10H18O4S/c1-9(4-8(11)12)5-10(2,6-13-9)14-7-15-3/h4-7H2,1-3H3,(H,11,12)/t9?,10-/m0/s1
InChIKey
XDWCWQQZBZYMIS-AXDSSHIGSA-N
Compound name
2-[(4S)-2,4-dimethyl-4-(methylsulfanylmethoxy)oxolan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09258 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.099856 148.9
[M+Na]+ 257.081798 155.7
[M-H]- 233.085304 151.6
[M+NH4]+ 252.126403 170.9
[M+K]+ 273.055738 155.8
[M+H-H2O]+ 217.089840 146.1
[M+HCOO]- 279.090781 163.3
[M+CH3COO]- 293.106431 184.8
[M+Na-2H]- 255.067246 151.6
[M]+ 234.09203142 153.7
[M]- 234.09312858 153.7
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.