CID 55034892

3-amino-n-methyl-2-{[4-(trifluoromethoxy)phenyl]methyl}propanamide hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅F₃N₂O₂

SMILES

CNC(=O)C(CC1=CC=C(C=C1)OC(F)(F)F)CN

InChI

InChI=1S/C12H15F3N2O2/c1-17-11(18)9(7-16)6-8-2-4-10(5-3-8)19-12(13,14)15/h2-5,9H,6-7,16H2,1H3,(H,17,18)

InChIKey

SLRRUDOVAFEXFK-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-N-methyl-3-[4-(trifluoromethoxy)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.10855 Da
Monoisotopic Mass: 1.7
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]+	277.115826	159.7
[M+Na]+	299.097768	165.4
[M-H]-	275.101274	158.7
[M+NH4]+	294.142373	174.9
[M+K]+	315.071708	163.0
[M+H-H2O]+	259.105810	150.4
[M+HCOO]-	321.106751	178.6
[M+CH3COO]-	335.122401	202.9
[M+Na-2H]-	297.083216	161.6
[M]+	276.10800142	155.2
[M]-	276.10909858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.