CID 100927

1,3-dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-

Structural Information

Molecular Formula
C7H14O2S
SMILES
CC1COC(O1)CCSC
InChI
InChI=1S/C7H14O2S/c1-6-5-8-7(9-6)3-4-10-2/h6-7H,3-5H2,1-2H3
InChIKey
NDGQCQHSMPWESO-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylsulfanylethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.07146 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07874 133.7
[M+Na]+ 185.06068 141.3
[M-H]- 161.06418 138.7
[M+NH4]+ 180.10528 154.6
[M+K]+ 201.03462 142.6
[M+H-H2O]+ 145.06872 129.4
[M+HCOO]- 207.06966 150.4
[M+CH3COO]- 221.08531 175.2
[M+Na-2H]- 183.04613 136.5
[M]+ 162.07091 137.3
[M]- 162.07201 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

patents stripe