CID 5310967

Rivanicline

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CNCC/C=C/C1=CN=CC=C1

InChI

InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+

InChIKey

JUOSGGQXEBBCJB-GORDUTHDSA-N

Compound name

(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 50
References: 1905
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]+	163.122966	135.8
[M+Na]+	185.104908	142.3
[M-H]-	161.108414	137.6
[M+NH4]+	180.149513	154.9
[M+K]+	201.078848	139.4
[M+H-H2O]+	145.112950	128.8
[M+HCOO]-	207.113891	160.0
[M+CH3COO]-	221.129541	180.3
[M+Na-2H]-	183.090356	143.9
[M]+	162.11514142	135.0
[M]-	162.11623858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe