CID 11746609

5-hydroxysedamine

Structural Information

Molecular Formula
C14H21NO2
SMILES
CN1C[C@H](CC[C@H]1C[C@@H](C2=CC=CC=C2)O)O
InChI
InChI=1S/C14H21NO2/c1-15-10-13(16)8-7-12(15)9-14(17)11-5-3-2-4-6-11/h2-6,12-14,16-17H,7-10H2,1H3/t12-,13-,14-/m0/s1
InChIKey
AJJJRSKTRLDSEB-IHRRRGAJSA-N
Compound name
(3S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.2
[M+Na]+ 258.146448 160.4
[M-H]- 234.149954 158.0
[M+NH4]+ 253.191053 171.0
[M+K]+ 274.120388 156.8
[M+H-H2O]+ 218.154490 148.7
[M+HCOO]- 280.155431 171.3
[M+CH3COO]- 294.171081 187.8
[M+Na-2H]- 256.131896 157.7
[M]+ 235.15668142 150.8
[M]- 235.15777858 150.8
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

No patent data available for this compound.