CID 3058131

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

Structural Information

Molecular Formula
C18H22N2
SMILES
CC1=CC=C(C=C1)[C@H]2C[C@H](C(N2)(C)C)C3=CC=NC=C3
InChI
InChI=1S/C18H22N2/c1-13-4-6-15(7-5-13)17-12-16(18(2,3)20-17)14-8-10-19-11-9-14/h4-11,16-17,20H,12H2,1-3H3/t16-,17+/m0/s1
InChIKey
RGLLSEPIPYULJV-DLBZAZTESA-N
Compound name
4-[(3S,5R)-2,2-dimethyl-5-(4-methylphenyl)pyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

266.17828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.6
[M+Na]+ 289.16750 180.2
[M+NH4]+ 284.21210 175.9
[M+K]+ 305.14144 171.4
[M-H]- 265.17100 171.1
[M+Na-2H]- 287.15295 176.0
[M]+ 266.17773 169.5
[M]- 266.17883 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.