CID 3045822

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

Structural Information

Molecular Formula
C17H20N2
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC=CC=C2)C3=CC=CC=N3)C
InChI
InChI=1S/C17H20N2/c1-17(2)14(15-10-6-7-11-18-15)12-16(19-17)13-8-4-3-5-9-13/h3-11,14,16,19H,12H2,1-2H3/t14-,16+/m0/s1
InChIKey
RHZYDZTWWHNJCR-GOEBONIOSA-N
Compound name
2-[(3R,5R)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.2
[M+Na]+ 275.15186 167.4
[M-H]- 251.15536 165.9
[M+NH4]+ 270.19646 177.4
[M+K]+ 291.12580 161.6
[M+H-H2O]+ 235.15990 151.1
[M+HCOO]- 297.16084 178.9
[M+CH3COO]- 311.17649 171.4
[M+Na-2H]- 273.13731 163.4
[M]+ 252.16209 155.9
[M]- 252.16319 155.9
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.