CID 47953

Bicifadine

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CC1=CC=C(C=C1)C23CC2CNC3

InChI

InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3

InChIKey

OFYVIGTWSQPCLF-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 16
References: 3169
Patents: 173.12045 Da
Monoisotopic Mass: 2.1
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]+	174.12773	139.2
[M+Na]+	196.10967	149.1
[M-H]-	172.11317	145.0
[M+NH4]+	191.15427	157.4
[M+K]+	212.08361	144.9
[M+H-H2O]+	156.11771	133.3
[M+HCOO]-	218.11865	159.3
[M+CH3COO]-	232.13430	152.2
[M+Na-2H]-	194.09512	145.4
[M]+	173.11990	138.8
[M]-	173.12100	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe