CID 16568

Di-n-butyl sulfoxide

Structural Information

Molecular Formula
C8H18OS
SMILES
CCCCS(=O)CCCC
InChI
InChI=1S/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
InChIKey
LOWMYOWHQMKBTM-UHFFFAOYSA-N
Compound name
1-butylsulfinylbutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

7962
Patents

162.10783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11511 136.2
[M+Na]+ 185.09705 142.6
[M-H]- 161.10055 136.4
[M+NH4]+ 180.14165 157.7
[M+K]+ 201.07099 141.2
[M+H-H2O]+ 145.10509 131.2
[M+HCOO]- 207.10603 153.2
[M+CH3COO]- 221.12168 179.2
[M+Na-2H]- 183.08250 137.4
[M]+ 162.10728 140.4
[M]- 162.10838 140.4
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

patents stripe