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 158.7
[M+Na]+ 281.10830 167.6
[M-H]- 257.11180 165.4
[M+NH4]+ 276.15290 178.6
[M+K]+ 297.08224 162.5
[M+H-H2O]+ 241.11634 151.8
[M+HCOO]- 303.11728 174.4
[M+CH3COO]- 317.13293 170.8
[M+Na-2H]- 279.09375 157.5
[M]+ 258.11853 157.6
[M]- 258.11963 157.6
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.