CID 3058152

Cis-(+-)-4-(2,2-dimethyl-5-(4-fluorophenyl)-3-pyrrolidinyl)pyridine ethanedioate (1:2)

Structural Information

Molecular Formula
C17H19FN2
SMILES
CC1([C@@H](C[C@@H](N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)C
InChI
InChI=1S/C17H19FN2/c1-17(2)15(12-7-9-19-10-8-12)11-16(20-17)13-3-5-14(18)6-4-13/h3-10,15-16,20H,11H2,1-2H3/t15-,16+/m0/s1
InChIKey
MXJYEJOANSESMT-JKSUJKDBSA-N
Compound name
4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15323 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16051 162.9
[M+Na]+ 293.14245 171.1
[M-H]- 269.14595 167.6
[M+NH4]+ 288.18705 179.7
[M+K]+ 309.11639 164.8
[M+H-H2O]+ 253.15049 153.1
[M+HCOO]- 315.15143 180.6
[M+CH3COO]- 329.16708 173.8
[M+Na-2H]- 291.12790 164.8
[M]+ 270.15268 158.1
[M]- 270.15378 158.1
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.