CID 51889931

1603409-00-2

Structural Information

Molecular Formula
C12H17FN2O
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=CC(=CC(=C2)N)F
InChI
InChI=1S/C12H17FN2O/c1-8-6-15(7-9(2)16-8)12-4-10(13)3-11(14)5-12/h3-5,8-9H,6-7,14H2,1-2H3/t8-,9+
InChIKey
YCTPWEHIPGJMBJ-DTORHVGOSA-N
Compound name
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13249 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13977 152.7
[M+Na]+ 247.12171 164.8
[M+NH4]+ 242.16631 160.4
[M+K]+ 263.09565 158.6
[M-H]- 223.12521 156.9
[M+Na-2H]- 245.10716 158.1
[M]+ 224.13194 155.5
[M]- 224.13304 155.5
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.