CID 44296390

3,4-ctmp

Structural Information

Molecular Formula
C14H17Cl2NO2
SMILES
COC(=O)[C@@H]([C@H]1CCCCN1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H17Cl2NO2/c1-19-14(18)13(12-4-2-3-7-17-12)9-5-6-10(15)11(16)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1
InChIKey
JUKMAYKVHWKRKY-CHWSQXEVSA-N
Compound name
methyl (2R)-2-(3,4-dichlorophenyl)-2-[(2R)-piperidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

301.06363 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07091 164.6
[M+Na]+ 324.05285 170.4
[M-H]- 300.05635 167.0
[M+NH4]+ 319.09745 178.7
[M+K]+ 340.02679 164.6
[M+H-H2O]+ 284.06089 158.3
[M+HCOO]- 346.06183 171.0
[M+CH3COO]- 360.07748 197.9
[M+Na-2H]- 322.03830 164.5
[M]+ 301.06308 163.2
[M]- 301.06418 163.2
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.