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: 8
Patents: 164.09496 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.10224	137.6
[M+Na]+	187.08418	151.0
[M+NH4]+	182.12878	146.1
[M+K]+	203.05812	147.9
[M-H]-	163.08768	145.9
[M+Na-2H]-	185.06963	146.1
[M]+	164.09441	142.9
[M]-	164.09551	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe