CID 9881925

2-hydroxymethylatomoxetine

Structural Information

Molecular Formula
C17H21NO2
SMILES
CNCC[C@H](C1=CC=CC=C1)OC2=CC=CC=C2CO
InChI
InChI=1S/C17H21NO2/c1-18-12-11-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)13-19/h2-10,17-19H,11-13H2,1H3/t17-/m1/s1
InChIKey
FYSYNTKLUNOCQR-QGZVFWFLSA-N
Compound name
[2-[(1R)-3-(methylamino)-1-phenylpropoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

271.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 164.4
[M+Na]+ 294.146448 168.9
[M-H]- 270.149954 169.1
[M+NH4]+ 289.191053 179.3
[M+K]+ 310.120388 164.9
[M+H-H2O]+ 254.154490 156.3
[M+HCOO]- 316.155431 186.7
[M+CH3COO]- 330.171081 199.4
[M+Na-2H]- 292.131896 168.8
[M]+ 271.15668142 164.5
[M]- 271.15777858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe