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

9
Patents

164.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 139.6
[M+Na]+ 187.08418 151.0
[M-H]- 163.08768 144.9
[M+NH4]+ 182.12878 154.9
[M+K]+ 203.05812 147.2
[M+H-H2O]+ 147.09222 132.1
[M+HCOO]- 209.09316 162.9
[M+CH3COO]- 223.10881 182.1
[M+Na-2H]- 185.06963 143.8
[M]+ 164.09441 143.6
[M]- 164.09551 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