CID 3078344

Brn 3557830

Structural Information

Molecular Formula
C15H17Cl2NO2
SMILES
C[C@@]1(CN([C@@H](C[C@]1(C#C)O)C2=C(C=C(C=C2)Cl)Cl)C)O
InChI
InChI=1S/C15H17Cl2NO2/c1-4-15(20)8-13(18(3)9-14(15,2)19)11-6-5-10(16)7-12(11)17/h1,5-7,13,19-20H,8-9H2,2-3H3/t13-,14-,15-/m0/s1
InChIKey
VGJQPSGQEVSERJ-KKUMJFAQSA-N
Compound name
(3S,4R,6S)-6-(2,4-dichlorophenyl)-4-ethynyl-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.06363 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07091 156.1
[M+Na]+ 336.05285 169.8
[M+NH4]+ 331.09745 163.0
[M+K]+ 352.02679 157.2
[M-H]- 312.05635 150.9
[M+Na-2H]- 334.03830 161.8
[M]+ 313.06308 156.6
[M]- 313.06418 156.6
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.