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]+ 151.086596 127.3
[M+Na]+ 173.068538 134.1
[M-H]- 149.072044 130.0
[M+NH4]+ 168.113143 140.4
[M+K]+ 189.042478 134.5
[M+H-H2O]+ 133.076580 115.5
[M+HCOO]- 195.077521 147.5
[M+CH3COO]- 209.093171 175.2
[M+Na-2H]- 171.053986 132.1
[M]+ 150.07877142 133.6
[M]- 150.07986858 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.