CID 3070128

85866-53-1

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC[C@]1(C[C@H](N(C[C@]1(C)O)C)C2=CC=CC=C2)O
InChI
InChI=1S/C15H23NO2/c1-4-15(18)10-13(12-8-6-5-7-9-12)16(3)11-14(15,2)17/h5-9,13,17-18H,4,10-11H2,1-3H3/t13-,14-,15+/m0/s1
InChIKey
ZMJIRVJCHYCCPR-SOUVJXGZSA-N
Compound name
(3S,4R,6S)-4-ethyl-1,3-dimethyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 158.9
[M+Na]+ 272.16210 165.9
[M-H]- 248.16560 161.7
[M+NH4]+ 267.20670 177.8
[M+K]+ 288.13604 162.4
[M+H-H2O]+ 232.17014 152.8
[M+HCOO]- 294.17108 174.8
[M+CH3COO]- 308.18673 190.4
[M+Na-2H]- 270.14755 162.8
[M]+ 249.17233 155.8
[M]- 249.17343 155.8
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.