CID 20252

Dipropyl sulfoxide

Structural Information

Molecular Formula
C6H14OS
SMILES
CCCS(=O)CCC
InChI
InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3
InChIKey
BQCCJWMQESHLIT-UHFFFAOYSA-N
Compound name
1-propylsulfinylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

4087
Patents

134.07654 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.083816 127.2
[M+Na]+ 157.065758 134.4
[M-H]- 133.069264 127.8
[M+NH4]+ 152.110363 149.8
[M+K]+ 173.039698 133.5
[M+H-H2O]+ 117.073800 122.5
[M+HCOO]- 179.074741 144.8
[M+CH3COO]- 193.090391 173.2
[M+Na-2H]- 155.051206 129.4
[M]+ 134.07599142 130.6
[M]- 134.07708858 130.6
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