CID 22027798

[1-(pyridin-4-yl)cyclopropyl]methanamine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC1(CN)C2=CC=NC=C2

InChI

InChI=1S/C9H12N2/c10-7-9(3-4-9)8-1-5-11-6-2-8/h1-2,5-6H,3-4,7,10H2

InChIKey

ALFWXUALIKPMMK-UHFFFAOYSA-N

Compound name

(1-pyridin-4-ylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 148.10005 Da
Monoisotopic Mass: 0.5
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	132.2
[M+Na]+	171.08927	141.6
[M-H]-	147.09277	138.3
[M+NH4]+	166.13387	148.7
[M+K]+	187.06321	139.2
[M+H-H2O]+	131.09731	125.8
[M+HCOO]-	193.09825	156.4
[M+CH3COO]-	207.11390	179.7
[M+Na-2H]-	169.07472	141.2
[M]+	148.09950	132.5
[M]-	148.10060	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe