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]+ 225.139766 152.1
[M+Na]+ 247.121708 159.7
[M-H]- 223.125214 156.4
[M+NH4]+ 242.166313 167.7
[M+K]+ 263.095648 157.2
[M+H-H2O]+ 207.129750 143.5
[M+HCOO]- 269.130691 170.1
[M+CH3COO]- 283.146341 193.2
[M+Na-2H]- 245.107156 154.8
[M]+ 224.13194142 147.5
[M]- 224.13303858 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.