CID 3045818

Pyridine, 2-(5-(4-chlorophenyl)-2,2-dimethyl-3-pyrrolidinyl)-, dihydrochloride, cis-(+-)-

Structural Information

Molecular Formula
C17H19ClN2
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC=C(C=C2)Cl)C3=CC=NC=C3)C
InChI
InChI=1S/C17H19ClN2/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13/h3-10,15-16,20H,11H2,1-2H3/t15-,16+/m0/s1
InChIKey
JDOYDZKBXHCCNH-JKSUJKDBSA-N
Compound name
4-[(3S,5R)-5-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.130976 167.1
[M+Na]+ 309.112918 175.9
[M-H]- 285.116424 172.8
[M+NH4]+ 304.157523 184.0
[M+K]+ 325.086858 168.4
[M+H-H2O]+ 269.120960 158.4
[M+HCOO]- 331.121901 181.0
[M+CH3COO]- 345.137551 178.1
[M+Na-2H]- 307.098366 168.9
[M]+ 286.12315142 165.2
[M]- 286.12424858 165.2
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.