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-[(2S,6R)-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 152.1
[M+Na]+ 247.12171 159.7
[M-H]- 223.12521 156.4
[M+NH4]+ 242.16631 167.7
[M+K]+ 263.09565 157.2
[M+H-H2O]+ 207.12975 143.5
[M+HCOO]- 269.13069 170.1
[M+CH3COO]- 283.14634 193.2
[M+Na-2H]- 245.10716 154.8
[M]+ 224.13194 147.5
[M]- 224.13304 147.5
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.