CID 3058140

Pyridine, 3-(5,5-dimethyl-4-(4-pyridinyl)-2-pyrrolidinyl)-, trihydrochloride, cis-(+-)-

Structural Information

Molecular Formula
C16H19N3
SMILES
CC1([C@H](C[C@H](N1)C2=CN=CC=C2)C3=CC=NC=C3)C
InChI
InChI=1S/C16H19N3/c1-16(2)14(12-5-8-17-9-6-12)10-15(19-16)13-4-3-7-18-11-13/h3-9,11,14-15,19H,10H2,1-2H3/t14-,15+/m1/s1
InChIKey
WOCJRMYBGDWBEZ-CABCVRRESA-N
Compound name
3-[(2S,4R)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 160.9
[M+Na]+ 276.14712 175.3
[M+NH4]+ 271.19172 170.7
[M+K]+ 292.12106 167.2
[M-H]- 252.15062 165.5
[M+Na-2H]- 274.13257 171.7
[M]+ 253.15735 164.5
[M]- 253.15845 164.5
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.