CID 3782763

855715-28-5

Structural Information

Molecular Formula

C₁₀H₁₅FN₂

SMILES

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

InChI

InChI=1S/C10H15FN2/c1-13(2)10(7-12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3

InChIKey

JDBOOJQLAVTZQE-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 182.12193 Da
Monoisotopic Mass: 1.0
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]+	183.12921	140.0
[M+Na]+	205.11115	150.2
[M+NH4]+	200.15575	148.2
[M+K]+	221.08509	144.4
[M-H]-	181.11465	142.3
[M+Na-2H]-	203.09660	146.3
[M]+	182.12138	141.9
[M]-	182.12248	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe