CID 51890159

1921246-82-3

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c1-8-6-18(7-9(2)19-8)12-4-3-10(17)5-11(12)13(14,15)16/h3-5,8-9H,6-7,17H2,1-2H3/t8-,9+
InChIKey
OQAJFFBDOUYWMS-DTORHVGOSA-N
Compound name
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.136576 163.1
[M+Na]+ 297.118518 170.9
[M-H]- 273.122024 164.8
[M+NH4]+ 292.163123 176.6
[M+K]+ 313.092458 167.8
[M+H-H2O]+ 257.126560 153.0
[M+HCOO]- 319.127501 177.0
[M+CH3COO]- 333.143151 201.6
[M+Na-2H]- 295.103966 164.8
[M]+ 274.12875142 156.0
[M]- 274.12984858 156.0
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.