CID 1201554

3-(4-methyl-1,3-thiazol-2-yl)pyridine

Structural Information

Molecular Formula
C9H8N2S
SMILES
CC1=CSC(=N1)C2=CN=CC=C2
InChI
InChI=1S/C9H8N2S/c1-7-6-12-9(11-7)8-3-2-4-10-5-8/h2-6H,1H3
InChIKey
MOUXQYCTQDNCAQ-UHFFFAOYSA-N
Compound name
4-methyl-2-pyridin-3-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

169
Patents

176.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04810 133.7
[M+Na]+ 199.03004 144.5
[M-H]- 175.03354 138.8
[M+NH4]+ 194.07464 154.0
[M+K]+ 215.00398 141.0
[M+H-H2O]+ 159.03808 126.7
[M+HCOO]- 221.03902 153.1
[M+CH3COO]- 235.05467 148.0
[M+Na-2H]- 197.01549 137.6
[M]+ 176.04027 135.7
[M]- 176.04137 135.7
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