CID 81793816

4-methyl-2-(1-methyl-1h-pyrazol-5-yl)benzaldehyde

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=CC(=C(C=C1)C=O)C2=CC=NN2C
InChI
InChI=1S/C12H12N2O/c1-9-3-4-10(8-15)11(7-9)12-5-6-13-14(12)2/h3-8H,1-2H3
InChIKey
YPTZSPXAIZWFIE-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylpyrazol-3-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.7
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.

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No literature data available for this compound.

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No patent data available for this compound.