CID 79515380

1368808-39-2

Structural Information

Molecular Formula

C₁₁H₁₅FN₂

SMILES

C1CCN(C1)C2=C(C(=CC=C2)F)CN

InChI

InChI=1S/C11H15FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h3-5H,1-2,6-8,13H2

InChIKey

BMYFCQXYAXKCBA-UHFFFAOYSA-N

Compound name

(2-fluoro-6-pyrrolidin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.12193 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]+	195.129206	141.7
[M+Na]+	217.111148	148.6
[M-H]-	193.114654	145.2
[M+NH4]+	212.155753	161.1
[M+K]+	233.085088	145.0
[M+H-H2O]+	177.119190	133.5
[M+HCOO]-	239.120131	163.1
[M+CH3COO]-	253.135781	185.3
[M+Na-2H]-	215.096596	144.3
[M]+	194.12138142	136.2
[M]-	194.12247858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe