CID 115011793

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

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CC(C1)N2C=CC(=N2)C=O
InChI
InChI=1S/C8H10N2O/c11-6-7-4-5-10(9-7)8-2-1-3-8/h4-6,8H,1-3H2
InChIKey
GDMFDLKOGRXTFB-UHFFFAOYSA-N
Compound name
1-cyclobutylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 125.6
[M+Na]+ 173.06854 132.8
[M-H]- 149.07204 129.6
[M+NH4]+ 168.11314 139.4
[M+K]+ 189.04248 134.2
[M+H-H2O]+ 133.07658 113.7
[M+HCOO]- 195.07752 147.3
[M+CH3COO]- 209.09317 177.8
[M+Na-2H]- 171.05399 131.0
[M]+ 150.07877 133.8
[M]- 150.07987 133.8
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

patents stripe