CID 129415966

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

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN1C=C(C(=N1)C2CCC2)C=O
InChI
InChI=1S/C9H12N2O/c1-11-5-8(6-12)9(10-11)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKey
YKYNGRPYRYZRQW-UHFFFAOYSA-N
Compound name
3-cyclobutyl-1-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 130.6
[M+Na]+ 187.084178 138.3
[M-H]- 163.087684 134.8
[M+NH4]+ 182.128783 144.2
[M+K]+ 203.058118 139.3
[M+H-H2O]+ 147.092220 118.8
[M+HCOO]- 209.093161 151.9
[M+CH3COO]- 223.108811 181.8
[M+Na-2H]- 185.069626 134.7
[M]+ 164.09441142 139.5
[M]- 164.09550858 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.