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 152.3
[M+Na]+ 268.09197 158.3
[M-H]- 244.09547 153.1
[M+NH4]+ 263.13657 169.8
[M+K]+ 284.06591 157.0
[M+H-H2O]+ 228.10001 143.4
[M+HCOO]- 290.10095 171.1
[M+CH3COO]- 304.11660 198.8
[M+Na-2H]- 266.07742 154.9
[M]+ 245.10220 149.1
[M]- 245.10330 149.1
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.