CID 209723

20242-31-3

Structural Information

Molecular Formula
C9H9N2O
SMILES
C[N+]1=CC=C(C=C1)C2=CC=NO2
InChI
InChI=1S/C9H9N2O/c1-11-6-3-8(4-7-11)9-2-5-10-12-9/h2-7H,1H3/q+1
InChIKey
PBQCVFUWFNDZPV-UHFFFAOYSA-N
Compound name
5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07149 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07877 131.4
[M+Na]+ 184.06071 141.0
[M-H]- 160.06421 136.9
[M+NH4]+ 179.10531 149.7
[M+K]+ 200.03465 134.5
[M+H-H2O]+ 144.06875 126.5
[M+HCOO]- 206.06969 154.6
[M+CH3COO]- 220.08534 169.0
[M+Na-2H]- 182.04616 141.9
[M]+ 161.07094 131.6
[M]- 161.07204 131.6
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

No patent data available for this compound.