CID 8027336

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C=O
InChI
InChI=1S/C12H10N2O3/c15-7-9-6-13-14-12(9)8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5-7H,3-4H2,(H,13,14)
InChIKey
WHHUOCWLINQUEL-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

230.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 148.9
[M+Na]+ 253.05836 162.6
[M+NH4]+ 248.10296 156.6
[M+K]+ 269.03230 158.9
[M-H]- 229.06186 153.8
[M+Na-2H]- 251.04381 154.3
[M]+ 230.06859 152.2
[M]- 230.06969 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.