CID 10887828

23328-62-3

Structural Information

Molecular Formula
C3H6OS
SMILES
CSCC=O
InChI
InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3
InChIKey
NCNSBFDGXBKAKB-UHFFFAOYSA-N
Compound name
2-methylsulfanylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

821
Patents

90.01394 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.021216 115.2
[M+Na]+ 113.00316 126.3
[M+NH4]+ 108.04776 124.5
[M+K]+ 128.97710 118.4
[M-H]- 89.006664 115.5
[M+Na-2H]- 110.98861 119.4
[M]+ 90.013391 117.2
[M]- 90.014489 117.2
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