CID 83873197

1-cyclobutyl-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=NN(C=C1C=O)C2CCC2
InChI
InChI=1S/C9H12N2O/c1-7-8(6-12)5-11(10-7)9-3-2-4-9/h5-6,9H,2-4H2,1H3
InChIKey
ULAYFRKGIDBGDQ-UHFFFAOYSA-N
Compound name
1-cyclobutyl-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 133.2
[M+Na]+ 187.08418 140.5
[M+NH4]+ 182.12878 137.2
[M+K]+ 203.05812 138.5
[M-H]- 163.08768 132.0
[M+Na-2H]- 185.06963 136.8
[M]+ 164.09441 132.5
[M]- 164.09551 132.5
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

No patent data available for this compound.