CID 91462

494-97-3

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1C[C@H](NC1)C2=CN=CC=C2

InChI

InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1

InChIKey

MYKUKUCHPMASKF-VIFPVBQESA-N

Compound name

3-[(2S)-pyrrolidin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 245
References: 8199
Patents: 148.10005 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]+	149.107326	131.1
[M+Na]+	171.089268	137.4
[M-H]-	147.092774	133.2
[M+NH4]+	166.133873	150.3
[M+K]+	187.063208	134.3
[M+H-H2O]+	131.097310	123.3
[M+HCOO]-	193.098251	151.0
[M+CH3COO]-	207.113901	143.5
[M+Na-2H]-	169.074716	136.8
[M]+	148.09950142	125.5
[M]-	148.10059858	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe