CID 77231406

1-cyclobutylpyrazole

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

C1CC(C1)N2C=CC=N2

InChI

InChI=1S/C7H10N2/c1-3-7(4-1)9-6-2-5-8-9/h2,5-7H,1,3-4H2

InChIKey

AXWRKAANHAVLRK-UHFFFAOYSA-N

Compound name

1-cyclobutylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 122.0844 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]+	123.09168	120.5
[M+Na]+	145.07362	128.0
[M+NH4]+	140.11822	125.7
[M+K]+	161.04756	125.7
[M-H]-	121.07712	120.1
[M+Na-2H]-	143.05907	125.8
[M]+	122.08385	120.2
[M]-	122.08495	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe