CID 91647702

1-(2-methylphenyl)-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=CC=CC=C1N2C(=CC=N2)C=O
InChI
InChI=1S/C11H10N2O/c1-9-4-2-3-5-11(9)13-10(8-14)6-7-12-13/h2-8H,1H3
InChIKey
LCCRZIUVUDSELH-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 139.8
[M+Na]+ 209.06854 154.2
[M+NH4]+ 204.11314 148.1
[M+K]+ 225.04248 148.8
[M-H]- 185.07204 142.7
[M+Na-2H]- 207.05399 148.5
[M]+ 186.07877 142.6
[M]- 186.07987 142.6
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.