CID 45079691

221137-23-1

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC2=C(C1)N=C(C=C2)CN

InChI

InChI=1S/C9H12N2/c10-6-8-5-4-7-2-1-3-9(7)11-8/h4-5H,1-3,6,10H2

InChIKey

NYGSKYXLMNWEQK-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	130.1
[M+Na]+	171.08927	141.7
[M+NH4]+	166.13387	139.8
[M+K]+	187.06321	136.6
[M-H]-	147.09277	132.8
[M+Na-2H]-	169.07472	136.2
[M]+	148.09950	132.3
[M]-	148.10060	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.