CID 24407

Diisoamyl sulfoxide

Structural Information

Molecular Formula
C10H22OS
SMILES
CC(C)CCS(=O)CCC(C)C
InChI
InChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKey
WXYDKGMJJFFORR-UHFFFAOYSA-N
Compound name
3-methyl-1-(3-methylbutylsulfinyl)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

859
Patents

190.13913 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14641 146.5
[M+Na]+ 213.12835 155.1
[M+NH4]+ 208.17295 154.3
[M+K]+ 229.10229 148.1
[M-H]- 189.13185 145.8
[M+Na-2H]- 211.11380 148.0
[M]+ 190.13858 147.8
[M]- 190.13968 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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