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
4
Annotation Hits

16
References

2172
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 141.6
[M+Na]+ 196.10967 155.6
[M+NH4]+ 191.15427 153.5
[M+K]+ 212.08361 149.3
[M-H]- 172.11317 152.1
[M+Na-2H]- 194.09512 152.0
[M]+ 173.11990 147.9
[M]- 173.12100 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe