CID 177799789

1'-benzyl-3'-methyl-2,3'-bipyrrolidine

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1(CCN(C1)CC2=CC=CC=C2)C3CCCN3
InChI
InChI=1S/C16H24N2/c1-16(15-8-5-10-17-15)9-11-18(13-16)12-14-6-3-2-4-7-14/h2-4,6-7,15,17H,5,8-13H2,1H3
InChIKey
TTWWZRFQBDXGJK-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-3-pyrrolidin-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 160.4
[M+Na]+ 267.183168 164.6
[M-H]- 243.186674 165.2
[M+NH4]+ 262.227773 179.2
[M+K]+ 283.157108 160.1
[M+H-H2O]+ 227.191210 151.6
[M+HCOO]- 289.192151 177.3
[M+CH3COO]- 303.207801 170.6
[M+Na-2H]- 265.168616 159.9
[M]+ 244.19340142 153.3
[M]- 244.19449858 153.3
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.