CID 89179

3,5-dimethyl-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)C=O
InChI
InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
VOMRTQQGXWPTJK-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

136
Patents

200.09496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 144.2
[M+Na]+ 223.08418 158.8
[M+NH4]+ 218.12878 152.3
[M+K]+ 239.05812 153.3
[M-H]- 199.08768 147.1
[M+Na-2H]- 221.06963 152.3
[M]+ 200.09441 147.1
[M]- 200.09551 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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