CID 7009534

1-ethyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C6H8N2O
SMILES
CCN1C(=CC=N1)C=O
InChI
InChI=1S/C6H8N2O/c1-2-8-6(5-9)3-4-7-8/h3-5H,2H2,1H3
InChIKey
SKUJVOCRQZNYEX-UHFFFAOYSA-N
Compound name
2-ethylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

124.06366 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.3
[M+Na]+ 147.05288 132.2
[M-H]- 123.05638 123.7
[M+NH4]+ 142.09748 144.0
[M+K]+ 163.02682 131.2
[M+H-H2O]+ 107.06092 115.8
[M+HCOO]- 169.06186 146.4
[M+CH3COO]- 183.07751 170.0
[M+Na-2H]- 145.03833 129.0
[M]+ 124.06311 124.0
[M]- 124.06421 124.0
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