CID 139022834

6-(1,3-thiazol-4-yl)pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C9H6N2OS
SMILES
C1=CC(=NC=C1C=O)C2=CSC=N2
InChI
InChI=1S/C9H6N2OS/c12-4-7-1-2-8(10-3-7)9-5-13-6-11-9/h1-6H
InChIKey
DOSHLMXHBSRCPS-UHFFFAOYSA-N
Compound name
6-(1,3-thiazol-4-yl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.02008 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.027356 136.8
[M+Na]+ 213.009298 147.7
[M-H]- 189.012804 142.0
[M+NH4]+ 208.053903 156.3
[M+K]+ 228.983238 144.1
[M+H-H2O]+ 173.017340 129.7
[M+HCOO]- 235.018281 156.6
[M+CH3COO]- 249.033931 151.0
[M+Na-2H]- 210.994746 140.7
[M]+ 190.01953142 139.5
[M]- 190.02062858 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

No literature data available for this compound.

Patent stripe

patents stripe