CID 62370366

Methyl(pyridin-3-ylmethyl)(pyrrolidin-3-ylmethyl)amine

Structural Information

Molecular Formula

C₁₂H₁₉N₃

SMILES

CN(CC1CCNC1)CC2=CN=CC=C2

InChI

InChI=1S/C12H19N3/c1-15(10-12-4-6-14-8-12)9-11-3-2-5-13-7-11/h2-3,5,7,12,14H,4,6,8-10H2,1H3

InChIKey

MTSQXKHRXWCBSI-UHFFFAOYSA-N

Compound name

N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.1579 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]+	206.165176	147.9
[M+Na]+	228.147118	152.0
[M-H]-	204.150624	150.9
[M+NH4]+	223.191723	165.1
[M+K]+	244.121058	149.5
[M+H-H2O]+	188.155160	138.9
[M+HCOO]-	250.156101	168.3
[M+CH3COO]-	264.171751	187.7
[M+Na-2H]-	226.132566	151.7
[M]+	205.15735142	143.9
[M]-	205.15844858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.