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]+ 267.18556 164.4
[M+Na]+ 289.16750 172.0
[M-H]- 265.17100 170.3
[M+NH4]+ 284.21210 181.4
[M+K]+ 305.14144 166.0
[M+H-H2O]+ 249.17554 155.4
[M+HCOO]- 311.17648 182.8
[M+CH3COO]- 325.19213 175.5
[M+Na-2H]- 287.15295 166.4
[M]+ 266.17773 160.9
[M]- 266.17883 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.