CID 60829

Manifaxine

Structural Information

Molecular Formula
C12H15F2NO2
SMILES
C[C@@H]1CO[C@]([C@@H](N1)C)(C2=CC(=CC(=C2)F)F)O
InChI
InChI=1S/C12H15F2NO2/c1-7-6-17-12(16,8(2)15-7)9-3-10(13)5-11(14)4-9/h3-5,7-8,15-16H,6H2,1-2H3/t7-,8+,12-/m1/s1
InChIKey
OZGPVYJHWWPEFT-RGNHYFCHSA-N
Compound name
(2S,3S,5R)-2-(3,5-difluorophenyl)-3,5-dimethylmorpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

523
Patents

243.10709 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11437 152.9
[M+Na]+ 266.09631 161.4
[M-H]- 242.09981 154.0
[M+NH4]+ 261.14091 168.8
[M+K]+ 282.07025 158.2
[M+H-H2O]+ 226.10435 144.8
[M+HCOO]- 288.10529 166.7
[M+CH3COO]- 302.12094 188.4
[M+Na-2H]- 264.08176 156.0
[M]+ 243.10654 147.1
[M]- 243.10764 147.1
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.