CID 21098727

N-[2-(4-fluorophenyl)ethyl]cyclopropanamine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

C1CC1NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)7-8-13-11-5-6-11/h1-4,11,13H,5-8H2

InChIKey

NJDGRXSBVMPMQX-UHFFFAOYSA-N

Compound name

N-[2-(4-fluorophenyl)ethyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 179.11102 Da
Monoisotopic Mass: 2.4
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]+	180.118296	133.0
[M+Na]+	202.100238	141.6
[M-H]-	178.103744	139.2
[M+NH4]+	197.144843	148.1
[M+K]+	218.074178	138.0
[M+H-H2O]+	162.108280	125.3
[M+HCOO]-	224.109221	157.6
[M+CH3COO]-	238.124871	187.7
[M+Na-2H]-	200.085686	140.1
[M]+	179.11047142	133.4
[M]-	179.11156858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe