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]+ 218.09241 145.9
[M+Na]+ 240.07435 156.7
[M-H]- 216.07785 149.6
[M+NH4]+ 235.11895 162.5
[M+K]+ 256.04829 153.7
[M+H-H2O]+ 200.08239 137.2
[M+HCOO]- 262.08333 168.7
[M+CH3COO]- 276.09898 187.8
[M+Na-2H]- 238.05980 150.7
[M]+ 217.08458 149.5
[M]- 217.08568 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