CID 19824238

3-dimethylsulfoniopropionaldehyde

Structural Information

Molecular Formula
C5H11OS
SMILES
C[S+](C)CCC=O
InChI
InChI=1S/C5H11OS/c1-7(2)5-3-4-6/h4H,3,5H2,1-2H3/q+1
InChIKey
OISJAAYQHIBAQP-UHFFFAOYSA-N
Compound name
dimethyl(3-oxopropyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

0
Patents

119.05306 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06034 120.8
[M+Na]+ 142.04228 128.5
[M-H]- 118.04578 122.0
[M+NH4]+ 137.08688 143.7
[M+K]+ 158.01622 122.7
[M+H-H2O]+ 102.05032 119.3
[M+HCOO]- 164.05126 138.7
[M+CH3COO]- 178.06691 163.4
[M+Na-2H]- 140.02773 125.9
[M]+ 119.05251 122.4
[M]- 119.05361 122.4
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

No patent data available for this compound.