CID 2760909

769099-80-1

Structural Information

Molecular Formula

C₁₂H₁₅FN₂

SMILES

C1C2CNC1CN2CC3=CC=C(C=C3)F

InChI

InChI=1S/C12H15FN2/c13-10-3-1-9(2-4-10)7-15-8-11-5-12(15)6-14-11/h1-4,11-12,14H,5-8H2

InChIKey

WOCPIKSQKAHVNP-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.12193 Da
Monoisotopic Mass: 1.5
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]+	207.129206	145.6
[M+Na]+	229.111148	153.2
[M-H]-	205.114654	146.4
[M+NH4]+	224.155753	166.4
[M+K]+	245.085088	148.6
[M+H-H2O]+	189.119190	137.7
[M+HCOO]-	251.120131	162.5
[M+CH3COO]-	265.135781	157.2
[M+Na-2H]-	227.096596	147.6
[M]+	206.12138142	141.1
[M]-	206.12247858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe