CID 7144649

1046461-90-8

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C=O
InChI
InChI=1S/C11H8N2O3/c14-5-8-4-12-13-11(8)7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2,(H,12,13)
InChIKey
KNGSJLHOXNAMTI-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 143.8
[M+Na]+ 239.04272 156.5
[M+NH4]+ 234.08732 151.3
[M+K]+ 255.01666 155.4
[M-H]- 215.04622 147.9
[M+Na-2H]- 237.02817 148.5
[M]+ 216.05295 146.6
[M]- 216.05405 146.6
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.