CID 121504

(r*,r*)-(+-)-1-methyl-alpha-phenyl-2-piperidineethanol

Structural Information

Molecular Formula
C14H21NO
SMILES
CN1CCCC[C@@H]1C[C@H](C2=CC=CC=C2)O
InChI
InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1
InChIKey
GOWRYACIDZSIHI-ZIAGYGMSSA-N
Compound name
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 152.7
[M+Na]+ 242.151528 156.4
[M-H]- 218.155034 155.5
[M+NH4]+ 237.196133 168.6
[M+K]+ 258.125468 153.1
[M+H-H2O]+ 202.159570 144.9
[M+HCOO]- 264.160511 169.2
[M+CH3COO]- 278.176161 187.1
[M+Na-2H]- 240.136976 155.4
[M]+ 219.16176142 147.3
[M]- 219.16285858 147.3
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.