CID 3058136

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

Structural Information

Molecular Formula
C15H18N2S
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC=CS2)C3=CC=NC=C3)C
InChI
InChI=1S/C15H18N2S/c1-15(2)12(11-5-7-16-8-6-11)10-13(17-15)14-4-3-9-18-14/h3-9,12-13,17H,10H2,1-2H3/t12-,13+/m0/s1
InChIKey
QGJFBTXDAGYVNO-QWHCGFSZSA-N
Compound name
4-[(3S,5R)-2,2-dimethyl-5-thiophen-2-ylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11908 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12636 158.8
[M+Na]+ 281.10830 171.1
[M+NH4]+ 276.15290 169.5
[M+K]+ 297.08224 163.2
[M-H]- 257.11180 163.6
[M+Na-2H]- 279.09375 167.8
[M]+ 258.11853 162.5
[M]- 258.11963 162.5
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.