CID 16217970

834884-78-5

Structural Information

Molecular Formula
C13H9NO3
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CC=CC(=N3)C=O
InChI
InChI=1S/C13H9NO3/c15-7-10-2-1-3-11(14-10)9-4-5-12-13(6-9)17-8-16-12/h1-7H,8H2
InChIKey
XITSUEJTFNGOIW-UHFFFAOYSA-N
Compound name
6-(1,3-benzodioxol-5-yl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

227.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 145.9
[M+Na]+ 250.04746 155.7
[M-H]- 226.05096 154.0
[M+NH4]+ 245.09206 162.8
[M+K]+ 266.02140 154.5
[M+H-H2O]+ 210.05550 138.9
[M+HCOO]- 272.05644 167.5
[M+CH3COO]- 286.07209 159.9
[M+Na-2H]- 248.03291 153.8
[M]+ 227.05769 148.9
[M]- 227.05879 148.9
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

No patent data available for this compound.