CID 19576747

1006333-32-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C)CN1C=C(C=N1)C=O

InChI

InChI=1S/C8H12N2O/c1-7(2)4-10-5-8(6-11)3-9-10/h3,5-7H,4H2,1-2H3

InChIKey

HOPKSBAEUKMTHH-UHFFFAOYSA-N

Compound name

1-(2-methylpropyl)pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 152.09496 Da
Monoisotopic Mass: 1.0
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	132.0
[M+Na]+	175.08418	140.7
[M+NH4]+	170.12878	133.1
[M+K]+	191.05812	152.5
[M-H]-	151.08768	139.6
[M+Na-2H]-	173.06963	125.2
[M]+	152.09441	154.4
[M]-	152.09551	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe