CID 80133230

2344678-82-4

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1C(CC1N)C2=CC=NC=C2

InChI

InChI=1S/C9H12N2/c10-9-5-8(6-9)7-1-3-11-4-2-7/h1-4,8-9H,5-6,10H2

InChIKey

MWQJTIPUXLOTAF-UHFFFAOYSA-N

Compound name

3-pyridin-4-ylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.10005 Da
Monoisotopic Mass: 0.5
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]+	149.10733	129.6
[M+Na]+	171.08927	137.7
[M+NH4]+	166.13387	134.9
[M+K]+	187.06321	133.1
[M-H]-	147.09277	131.0
[M+Na-2H]-	169.07472	135.5
[M]+	148.09950	129.9
[M]-	148.10060	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe