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
2
Annotation Hits

5
References

4063
Patents

134.07654 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08382 127.2
[M+Na]+ 157.06576 134.4
[M-H]- 133.06926 127.8
[M+NH4]+ 152.11036 149.8
[M+K]+ 173.03970 133.5
[M+H-H2O]+ 117.07380 122.5
[M+HCOO]- 179.07474 144.8
[M+CH3COO]- 193.09039 173.2
[M+Na-2H]- 155.05121 129.4
[M]+ 134.07599 130.6
[M]- 134.07709 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