CID 4586918

1018827-45-6

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CNCC1CC2=CN=CC=C2

InChI

InChI=1S/C10H14N2/c1-2-9(7-11-4-1)6-10-3-5-12-8-10/h1-2,4,7,10,12H,3,5-6,8H2

InChIKey

KZXRUDMXYZAZKU-UHFFFAOYSA-N

Compound name

3-(pyrrolidin-3-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 162.11569 Da
Monoisotopic Mass: 1.1
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]+	163.12297	135.7
[M+Na]+	185.10491	141.5
[M-H]-	161.10841	137.5
[M+NH4]+	180.14951	154.3
[M+K]+	201.07885	138.1
[M+H-H2O]+	145.11295	127.6
[M+HCOO]-	207.11389	155.2
[M+CH3COO]-	221.12954	147.6
[M+Na-2H]-	183.09036	140.7
[M]+	162.11514	130.4
[M]-	162.11624	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe