CID 105429472

5-cyclobutyl-1h-pyrazole-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 129.5
[M+Na]+ 173.06854 136.2
[M+NH4]+ 168.11314 133.3
[M+K]+ 189.04248 134.4
[M-H]- 149.07204 127.8
[M+Na-2H]- 171.05399 133.0
[M]+ 150.07877 128.5
[M]- 150.07987 128.5
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.