CID 64982218

1-(cyclobutylmethyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CC(C1)CN2C=C(C=N2)C=O
InChI
InChI=1S/C9H12N2O/c12-7-9-4-10-11(6-9)5-8-2-1-3-8/h4,6-8H,1-3,5H2
InChIKey
VCSJAYMPUKYLDV-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)pyrazole-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]+ 165.102236 130.3
[M+Na]+ 187.084178 137.1
[M-H]- 163.087684 134.1
[M+NH4]+ 182.128783 143.6
[M+K]+ 203.058118 138.1
[M+H-H2O]+ 147.092220 118.1
[M+HCOO]- 209.093161 151.7
[M+CH3COO]- 223.108811 180.7
[M+Na-2H]- 185.069626 135.1
[M]+ 164.09441142 138.8
[M]- 164.09550858 138.8
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.