CID 4155480

3-methyl-3-(2-methyl-1,3-dioxolan-2-yl)-1-(methylsulfinyl)-2-butanone

Structural Information

Molecular Formula
C10H18O4S
SMILES
CC1(OCCO1)C(C)(C)C(=O)CS(=O)C
InChI
InChI=1S/C10H18O4S/c1-9(2,8(11)7-15(4)12)10(3)13-5-6-14-10/h5-7H2,1-4H3
InChIKey
VSPFWSFEYHVPQG-UHFFFAOYSA-N
Compound name
3-methyl-3-(2-methyl-1,3-dioxolan-2-yl)-1-methylsulfinylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09258 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09986 150.5
[M+Na]+ 257.08180 156.6
[M-H]- 233.08530 155.1
[M+NH4]+ 252.12640 169.8
[M+K]+ 273.05574 158.7
[M+H-H2O]+ 217.08984 147.3
[M+HCOO]- 279.09078 163.5
[M+CH3COO]- 293.10643 187.2
[M+Na-2H]- 255.06725 153.4
[M]+ 234.09203 155.1
[M]- 234.09313 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.