CID 49853414

2309459-47-8

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC(C1)(C2=CN=CC=C2)N

InChI

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

InChIKey

QATGFCHERVPRDB-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 148.10005 Da
Monoisotopic Mass: 0.4
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	130.0
[M+Na]+	171.08927	137.9
[M+NH4]+	166.13387	136.7
[M+K]+	187.06321	131.5
[M-H]-	147.09277	131.3
[M+Na-2H]-	169.07472	137.6
[M]+	148.09950	130.4
[M]-	148.10060	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe