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]+ 250.180156 158.9
[M+Na]+ 272.162098 165.9
[M-H]- 248.165604 161.7
[M+NH4]+ 267.206703 177.8
[M+K]+ 288.136038 162.4
[M+H-H2O]+ 232.170140 152.8
[M+HCOO]- 294.171081 174.8
[M+CH3COO]- 308.186731 190.4
[M+Na-2H]- 270.147546 162.8
[M]+ 249.17233142 155.8
[M]- 249.17342858 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.