CID 2758901

3-ethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCC1=C(C=NN1)C=O
InChI
InChI=1S/C6H8N2O/c1-2-6-5(4-9)3-7-8-6/h3-4H,2H2,1H3,(H,7,8)
InChIKey
BRWYDRSSDKRKBX-UHFFFAOYSA-N
Compound name
5-ethyl-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

124.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 124.6
[M+Na]+ 147.05288 136.0
[M+NH4]+ 142.09748 132.1
[M+K]+ 163.02682 132.3
[M-H]- 123.05638 124.1
[M+Na-2H]- 145.03833 129.8
[M]+ 124.06311 125.8
[M]- 124.06421 125.8
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