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

35
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 146.5
[M+Na]+ 250.04746 161.7
[M+NH4]+ 245.09206 155.3
[M+K]+ 266.02140 157.0
[M-H]- 226.05096 152.9
[M+Na-2H]- 248.03291 153.8
[M]+ 227.05769 150.6
[M]- 227.05879 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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