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

15
References

2855
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 139.2
[M+Na]+ 196.109668 149.1
[M-H]- 172.113174 145.0
[M+NH4]+ 191.154273 157.4
[M+K]+ 212.083608 144.9
[M+H-H2O]+ 156.117710 133.3
[M+HCOO]- 218.118651 159.3
[M+CH3COO]- 232.134301 152.2
[M+Na-2H]- 194.095116 145.4
[M]+ 173.11990142 138.8
[M]- 173.12099858 138.8
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