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]+ 235.09986 148.9
[M+Na]+ 257.08180 155.7
[M-H]- 233.08530 151.6
[M+NH4]+ 252.12640 170.9
[M+K]+ 273.05574 155.8
[M+H-H2O]+ 217.08984 146.1
[M+HCOO]- 279.09078 163.3
[M+CH3COO]- 293.10643 184.8
[M+Na-2H]- 255.06725 151.6
[M]+ 234.09203 153.7
[M]- 234.09313 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.