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 130.6
[M+Na]+ 187.08418 138.3
[M-H]- 163.08768 134.8
[M+NH4]+ 182.12878 144.2
[M+K]+ 203.05812 139.3
[M+H-H2O]+ 147.09222 118.8
[M+HCOO]- 209.09316 151.9
[M+CH3COO]- 223.10881 181.8
[M+Na-2H]- 185.06963 134.7
[M]+ 164.09441 139.5
[M]- 164.09551 139.5
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.