CID 130994074

[(3-cyclopropyl-2-fluorophenyl)methyl](methyl)amine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

CNCC1=C(C(=CC=C1)C2CC2)F

InChI

InChI=1S/C11H14FN/c1-13-7-9-3-2-4-10(11(9)12)8-5-6-8/h2-4,8,13H,5-7H2,1H3

InChIKey

JKUFAAUZQBCNAC-UHFFFAOYSA-N

Compound name

1-(3-cyclopropyl-2-fluorophenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.11102 Da
Monoisotopic Mass: 2.3
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	132.9
[M+Na]+	202.100238	142.4
[M-H]-	178.103744	139.5
[M+NH4]+	197.144843	148.4
[M+K]+	218.074178	138.7
[M+H-H2O]+	162.108280	125.5
[M+HCOO]-	224.109221	157.4
[M+CH3COO]-	238.124871	188.7
[M+Na-2H]-	200.085686	139.3
[M]+	179.11047142	133.7
[M]-	179.11156858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.