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

0
Patents

245.10275 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 157.1
[M+Na]+ 268.09197 164.5
[M+NH4]+ 263.13657 162.2
[M+K]+ 284.06591 160.1
[M-H]- 244.09547 154.3
[M+Na-2H]- 266.07742 160.7
[M]+ 245.10220 157.0
[M]- 245.10330 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.