CID 203554

Pyrrolidine, 1-(2-(2-benzylinden-3-yl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H25N
SMILES
C1CCN(C1)CCC2=C(CC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C22H25N/c1-2-8-18(9-3-1)16-20-17-19-10-4-5-11-21(19)22(20)12-15-23-13-6-7-14-23/h1-5,8-11H,6-7,12-17H2
InChIKey
PKCRHSDXHSBYCK-UHFFFAOYSA-N
Compound name
1-[2-(2-benzyl-3H-inden-1-yl)ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1987 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.205976 175.6
[M+Na]+ 326.187918 181.0
[M-H]- 302.191424 184.1
[M+NH4]+ 321.232523 193.2
[M+K]+ 342.161858 174.5
[M+H-H2O]+ 286.195960 166.6
[M+HCOO]- 348.196901 195.8
[M+CH3COO]- 362.212551 186.2
[M+Na-2H]- 324.173366 175.1
[M]+ 303.19815142 173.5
[M]- 303.19924858 173.5
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.