CID 72943090

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

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CC(C1)C2=C(C=NN2)C=O
InChI
InChI=1S/C8H10N2O/c11-5-7-4-9-10-8(7)6-2-1-3-6/h4-6H,1-3H2,(H,9,10)
InChIKey
FRFXSWRDOROQEL-UHFFFAOYSA-N
Compound name
5-cyclobutyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 127.3
[M+Na]+ 173.06854 134.1
[M-H]- 149.07204 130.0
[M+NH4]+ 168.11314 140.4
[M+K]+ 189.04248 134.5
[M+H-H2O]+ 133.07658 115.5
[M+HCOO]- 195.07752 147.5
[M+CH3COO]- 209.09317 175.2
[M+Na-2H]- 171.05399 132.1
[M]+ 150.07877 133.6
[M]- 150.07987 133.6
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.