CID 3058142

74650-40-1

Structural Information

Molecular Formula
C17H20N2
SMILES
CC1([C@@H](C[C@H](N1)C2=CC=CC=C2)C3=CN=CC=C3)C
InChI
InChI=1S/C17H20N2/c1-17(2)15(14-9-6-10-18-12-14)11-16(19-17)13-7-4-3-5-8-13/h3-10,12,15-16,19H,11H2,1-2H3/t15-,16-/m0/s1
InChIKey
KUDZMDZEKPJSQU-HOTGVXAUSA-N
Compound name
3-[(3S,5S)-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]+ 253.169916 160.2
[M+Na]+ 275.151858 167.4
[M-H]- 251.155364 165.9
[M+NH4]+ 270.196463 177.4
[M+K]+ 291.125798 161.6
[M+H-H2O]+ 235.159900 151.1
[M+HCOO]- 297.160841 178.9
[M+CH3COO]- 311.176491 171.4
[M+Na-2H]- 273.137306 163.4
[M]+ 252.16209142 155.9
[M]- 252.16318858 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

patents stripe