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]+ 165.10224 130.3
[M+Na]+ 187.08418 137.1
[M-H]- 163.08768 134.1
[M+NH4]+ 182.12878 143.6
[M+K]+ 203.05812 138.1
[M+H-H2O]+ 147.09222 118.1
[M+HCOO]- 209.09316 151.7
[M+CH3COO]- 223.10881 180.7
[M+Na-2H]- 185.06963 135.1
[M]+ 164.09441 138.8
[M]- 164.09551 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.