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

0
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]+ 267.185556 164.4
[M+Na]+ 289.167498 172.0
[M-H]- 265.171004 170.3
[M+NH4]+ 284.212103 181.4
[M+K]+ 305.141438 166.0
[M+H-H2O]+ 249.175540 155.4
[M+HCOO]- 311.176481 182.8
[M+CH3COO]- 325.192131 175.5
[M+Na-2H]- 287.152946 166.4
[M]+ 266.17773142 160.9
[M]- 266.17882858 160.9
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.