CID 4601088

N-trifluoroacetyldeoxyephedrine

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

CC(CC1=CC=CC=C1)N(C)C(=O)C(F)(F)F

InChI

InChI=1S/C12H14F3NO/c1-9(8-10-6-4-3-5-7-10)16(2)11(17)12(13,14)15/h3-7,9H,8H2,1-2H3

InChIKey

AXAFMXNUGNZMCK-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-methyl-N-(1-phenylpropan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 245.10275 Da
Monoisotopic Mass: 3.2
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]+	246.110026	152.3
[M+Na]+	268.091968	158.3
[M-H]-	244.095474	153.1
[M+NH4]+	263.136573	169.8
[M+K]+	284.065908	157.0
[M+H-H2O]+	228.100010	143.4
[M+HCOO]-	290.100951	171.1
[M+CH3COO]-	304.116601	198.8
[M+Na-2H]-	266.077416	154.9
[M]+	245.10220142	149.1
[M]-	245.10329858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe