CID 5013938

2-(pyrrolidin-3-yl)pyridine

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CNCC1C2=CC=CC=N2

InChI

InChI=1S/C9H12N2/c1-2-5-11-9(3-1)8-4-6-10-7-8/h1-3,5,8,10H,4,6-7H2

InChIKey

STXABSODTGKUAK-UHFFFAOYSA-N

Compound name

2-pyrrolidin-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1176
Patents: 148.10005 Da
Monoisotopic Mass: 0.6
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	131.1
[M+Na]+	171.08927	137.4
[M-H]-	147.09277	133.2
[M+NH4]+	166.13387	150.3
[M+K]+	187.06321	134.3
[M+H-H2O]+	131.09731	123.3
[M+HCOO]-	193.09825	151.0
[M+CH3COO]-	207.11390	143.5
[M+Na-2H]-	169.07472	136.8
[M]+	148.09950	125.5
[M]-	148.10060	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe