CID 131354210

5-methyl-6-(methylsulfanyl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H9NOS
SMILES
CC1=C(N=C(C=C1)C=O)SC
InChI
InChI=1S/C8H9NOS/c1-6-3-4-7(5-10)9-8(6)11-2/h3-5H,1-2H3
InChIKey
LZSYHKFFKKDHBT-UHFFFAOYSA-N
Compound name
5-methyl-6-methylsulfanylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 133.9
[M+Na]+ 190.02970 147.6
[M+NH4]+ 185.07430 143.0
[M+K]+ 206.00364 138.7
[M-H]- 166.03320 136.1
[M+Na-2H]- 188.01515 140.4
[M]+ 167.03993 137.0
[M]- 167.04103 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe