CID 102538374

3-methyl-1-propyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCCN1C(=CC(=N1)C)C=O

InChI

InChI=1S/C8H12N2O/c1-3-4-10-8(6-11)5-7(2)9-10/h5-6H,3-4H2,1-2H3

InChIKey

XMNQLJREUIWWHK-UHFFFAOYSA-N

Compound name

5-methyl-2-propylpyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.09496 Da
Monoisotopic Mass: 1.3
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]+	153.10224	132.8
[M+Na]+	175.08418	144.7
[M+NH4]+	170.12878	140.3
[M+K]+	191.05812	140.5
[M-H]-	151.08768	132.9
[M+Na-2H]-	173.06963	137.9
[M]+	152.09441	134.3
[M]-	152.09551	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe