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 163.1
[M+Na]+ 336.05285 176.4
[M-H]- 312.05635 164.7
[M+NH4]+ 331.09745 179.4
[M+K]+ 352.02679 166.6
[M+H-H2O]+ 296.06089 153.8
[M+HCOO]- 358.06183 166.1
[M+CH3COO]- 372.07748 205.6
[M+Na-2H]- 334.03830 164.6
[M]+ 313.06308 158.1
[M]- 313.06418 158.1
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.