CID 15703518

1,3-dimethyl-5-(pyridin-3-yloxy)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CC1=NN(C(=C1C=O)OC2=CN=CC=C2)C
InChI
InChI=1S/C11H11N3O2/c1-8-10(7-15)11(14(2)13-8)16-9-4-3-5-12-6-9/h3-7H,1-2H3
InChIKey
YNZXJLYNLGQWDV-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-pyridin-3-yloxypyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 145.9
[M+Na]+ 240.074348 156.7
[M-H]- 216.077854 149.6
[M+NH4]+ 235.118953 162.5
[M+K]+ 256.048288 153.7
[M+H-H2O]+ 200.082390 137.2
[M+HCOO]- 262.083331 168.7
[M+CH3COO]- 276.098981 187.8
[M+Na-2H]- 238.059796 150.7
[M]+ 217.08458142 149.5
[M]- 217.08567858 149.5
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

patents stripe