CID 2125337

2-(pyridin-2-yl)-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H6N2OS
SMILES
C1=CC=NC(=C1)C2=NC(=CS2)C=O
InChI
InChI=1S/C9H6N2OS/c12-5-7-6-13-9(11-7)8-3-1-2-4-10-8/h1-6H
InChIKey
NPVUCLKAKKBRFA-UHFFFAOYSA-N
Compound name
2-pyridin-2-yl-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

190.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02736 136.8
[M+Na]+ 213.00930 147.7
[M-H]- 189.01280 142.0
[M+NH4]+ 208.05390 156.3
[M+K]+ 228.98324 144.1
[M+H-H2O]+ 173.01734 129.7
[M+HCOO]- 235.01828 156.6
[M+CH3COO]- 249.03393 151.0
[M+Na-2H]- 210.99475 140.7
[M]+ 190.01953 139.5
[M]- 190.02063 139.5
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