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]+ 168.047756 130.9
[M+Na]+ 190.029698 141.2
[M-H]- 166.033204 134.2
[M+NH4]+ 185.074303 151.4
[M+K]+ 206.003638 138.3
[M+H-H2O]+ 150.037740 125.1
[M+HCOO]- 212.038681 149.7
[M+CH3COO]- 226.054331 178.2
[M+Na-2H]- 188.015146 134.9
[M]+ 167.03993142 134.6
[M]- 167.04102858 134.6
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