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]+ 302.070906 164.6
[M+Na]+ 324.052848 170.4
[M-H]- 300.056354 167.0
[M+NH4]+ 319.097453 178.7
[M+K]+ 340.026788 164.6
[M+H-H2O]+ 284.060890 158.3
[M+HCOO]- 346.061831 171.0
[M+CH3COO]- 360.077481 197.9
[M+Na-2H]- 322.038296 164.5
[M]+ 301.06308142 163.2
[M]- 301.06417858 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.