CID 59229

102145-08-4

Structural Information

Molecular Formula
C12H24O2S
SMILES
CC(C)CCSCC(C)C1(OCCO1)C
InChI
InChI=1S/C12H24O2S/c1-10(2)5-8-15-9-11(3)12(4)13-6-7-14-12/h10-11H,5-9H2,1-4H3
InChIKey
YZOPDPLLNDBIJS-UHFFFAOYSA-N
Compound name
2-methyl-2-[1-(3-methylbutylsulfanyl)propan-2-yl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1497 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15698 156.2
[M+Na]+ 255.13892 164.3
[M+NH4]+ 250.18352 165.6
[M+K]+ 271.11286 157.7
[M-H]- 231.14242 159.5
[M+Na-2H]- 253.12437 158.7
[M]+ 232.14915 158.8
[M]- 232.15025 158.8
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.