CID 19614693

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

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CN1C=C(C(=N1)C2CC2)C=O

InChI

InChI=1S/C8H10N2O/c1-10-4-7(5-11)8(9-10)6-2-3-6/h4-6H,2-3H2,1H3

InChIKey

SSWXTFMBDMMUOI-UHFFFAOYSA-N

Compound name

3-cyclopropyl-1-methylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 150.07932 Da
Monoisotopic Mass: 0.3
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]+	151.08660	133.8
[M+Na]+	173.06854	147.4
[M+NH4]+	168.11314	142.4
[M+K]+	189.04248	144.4
[M-H]-	149.07204	142.1
[M+Na-2H]-	171.05399	142.5
[M]+	150.07877	139.1
[M]-	150.07987	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe