CID 1080492

N-[(pyridin-4-yl)methyl]cyclopropanamine

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC1NCC2=CC=NC=C2

InChI

InChI=1S/C9H12N2/c1-2-9(1)11-7-8-3-5-10-6-4-8/h3-6,9,11H,1-2,7H2

InChIKey

FKVLLYTWAGEYSO-UHFFFAOYSA-N

Compound name

N-(pyridin-4-ylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
Patents: 148.10005 Da
Monoisotopic Mass: 0.8
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	131.3
[M+Na]+	171.089268	139.9
[M-H]-	147.092774	137.3
[M+NH4]+	166.133873	146.0
[M+K]+	187.063208	136.8
[M+H-H2O]+	131.097310	123.7
[M+HCOO]-	193.098251	156.3
[M+CH3COO]-	207.113901	180.8
[M+Na-2H]-	169.074716	140.3
[M]+	148.09950142	132.0
[M]-	148.10059858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe