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

4
Patents

161.07149 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.078766 131.4
[M+Na]+ 184.060708 141.0
[M-H]- 160.064214 136.9
[M+NH4]+ 179.105313 149.7
[M+K]+ 200.034648 134.5
[M+H-H2O]+ 144.068750 126.5
[M+HCOO]- 206.069691 154.6
[M+CH3COO]- 220.085341 169.0
[M+Na-2H]- 182.046156 141.9
[M]+ 161.07094142 131.6
[M]- 161.07203858 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.