CID 115011793

1-cyclobutyl-1h-pyrazole-3-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CC(C1)N2C=CC(=N2)C=O

InChI

InChI=1S/C8H10N2O/c11-6-7-4-5-10(9-7)8-2-1-3-8/h4-6,8H,1-3H2

InChIKey

GDMFDLKOGRXTFB-UHFFFAOYSA-N

Compound name

1-cyclobutylpyrazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.07932 Da
Monoisotopic Mass: 0.8
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	128.5
[M+Na]+	173.06854	135.7
[M+NH4]+	168.11314	132.7
[M+K]+	189.04248	133.7
[M-H]-	149.07204	127.4
[M+Na-2H]-	171.05399	132.7
[M]+	150.07877	127.8
[M]-	150.07987	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe