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-[(2S,6R)-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]+ 275.13658 163.1
[M+Na]+ 297.11852 170.9
[M-H]- 273.12202 164.8
[M+NH4]+ 292.16312 176.6
[M+K]+ 313.09246 167.8
[M+H-H2O]+ 257.12656 153.0
[M+HCOO]- 319.12750 177.0
[M+CH3COO]- 333.14315 201.6
[M+Na-2H]- 295.10397 164.8
[M]+ 274.12875 156.0
[M]- 274.12985 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.