CID 131539895

2287316-21-4

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1C(CC1N2C=CC=N2)N

InChI

InChI=1S/C7H11N3/c8-6-4-7(5-6)10-3-1-2-9-10/h1-3,6-7H,4-5,8H2

InChIKey

UVECAGJZTSVGIY-UHFFFAOYSA-N

Compound name

3-pyrazol-1-ylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 137.09529 Da
Monoisotopic Mass: -0.2
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]+	138.10257	125.4
[M+Na]+	160.08451	131.8
[M-H]-	136.08801	129.0
[M+NH4]+	155.12911	139.2
[M+K]+	176.05845	133.1
[M+H-H2O]+	120.09255	112.8
[M+HCOO]-	182.09349	147.3
[M+CH3COO]-	196.10914	177.7
[M+Na-2H]-	158.06996	130.5
[M]+	137.09474	130.8
[M]-	137.09584	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe