CID 139675289

4-methyl-1-(propan-2-yl)-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=C(N(N=C1)C(C)C)C=O
InChI
InChI=1S/C8H12N2O/c1-6(2)10-8(5-11)7(3)4-9-10/h4-6H,1-3H3
InChIKey
IZEBALJHNOAJRU-UHFFFAOYSA-N
Compound name
4-methyl-2-propan-2-ylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.8
[M+Na]+ 175.08418 144.5
[M+NH4]+ 170.12878 140.3
[M+K]+ 191.05812 141.0
[M-H]- 151.08768 132.7
[M+Na-2H]- 173.06963 137.6
[M]+ 152.09441 134.3
[M]- 152.09551 134.3
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.