CID 19621360

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

Structural Information

Molecular Formula
C9H12N2O
SMILES
CCN1C=C(C(=N1)C2CC2)C=O
InChI
InChI=1S/C9H12N2O/c1-2-11-5-8(6-12)9(10-11)7-3-4-7/h5-7H,2-4H2,1H3
InChIKey
SRBJGELFBYXQIZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 139.6
[M+Na]+ 187.084178 151.0
[M-H]- 163.087684 144.9
[M+NH4]+ 182.128783 154.9
[M+K]+ 203.058118 147.2
[M+H-H2O]+ 147.092220 132.1
[M+HCOO]- 209.093161 162.9
[M+CH3COO]- 223.108811 182.1
[M+Na-2H]- 185.069626 143.8
[M]+ 164.09441142 143.6
[M]- 164.09550858 143.6
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

patents stripe