CID 54432181

2-(1,2-oxazol-5-yl)pyridine

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=NC(=C1)C2=CC=NO2
InChI
InChI=1S/C8H6N2O/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-6H
InChIKey
HWJIRKAEXNLKKQ-UHFFFAOYSA-N
Compound name
5-pyridin-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

146.04802 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 125.1
[M+Na]+ 169.03724 134.4
[M-H]- 145.04074 130.0
[M+NH4]+ 164.08184 143.9
[M+K]+ 185.01118 133.5
[M+H-H2O]+ 129.04528 117.4
[M+HCOO]- 191.04622 149.0
[M+CH3COO]- 205.06187 139.8
[M+Na-2H]- 167.02269 134.5
[M]+ 146.04747 125.9
[M]- 146.04857 125.9
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