CID 4711676

[(2-fluorophenyl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula

C₁₁H₁₆FN

SMILES

CC(C)CNCC1=CC=CC=C1F

InChI

InChI=1S/C11H16FN/c1-9(2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3

InChIKey

MXIQSNZZFFIORF-UHFFFAOYSA-N

Compound name

N-[(2-fluorophenyl)methyl]-2-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 181.12668 Da
Monoisotopic Mass: 2.9
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]+	182.13396	140.0
[M+Na]+	204.11590	146.4
[M-H]-	180.11940	142.2
[M+NH4]+	199.16050	159.9
[M+K]+	220.08984	144.1
[M+H-H2O]+	164.12394	133.1
[M+HCOO]-	226.12488	162.9
[M+CH3COO]-	240.14053	186.9
[M+Na-2H]-	202.10135	144.9
[M]+	181.12613	138.5
[M]-	181.12723	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe