CID 215051

34841-38-8

Structural Information

Molecular Formula

C₁₃H₁₈FNO

SMILES

CC(C(=O)C1=CC(=CC=C1)F)NC(C)(C)C

InChI

InChI=1S/C13H18FNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3

InChIKey

CCGVLNAUEKVICK-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-(3-fluorophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 15
Patents: 223.13724 Da
Monoisotopic Mass: 2.7
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]+	224.14452	150.9
[M+Na]+	246.12646	157.0
[M-H]-	222.12996	153.2
[M+NH4]+	241.17106	169.1
[M+K]+	262.10040	155.0
[M+H-H2O]+	206.13450	144.2
[M+HCOO]-	268.13544	171.0
[M+CH3COO]-	282.15109	194.6
[M+Na-2H]-	244.11191	154.2
[M]+	223.13669	149.6
[M]-	223.13779	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe