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

1
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

patents stripe