CID 121552

Dtxsid50941075

Structural Information

Molecular Formula
C18H21N
SMILES
C1CCN(C1)C(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21N/c1-3-9-16(10-4-1)15-18(19-13-7-8-14-19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKey
ABWTUTXMSBGYGZ-UHFFFAOYSA-N
Compound name
1-(1,2-diphenylethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.174676 160.6
[M+Na]+ 274.156618 164.3
[M-H]- 250.160124 167.6
[M+NH4]+ 269.201223 177.0
[M+K]+ 290.130558 159.6
[M+H-H2O]+ 234.164660 151.3
[M+HCOO]- 296.165601 180.6
[M+CH3COO]- 310.181251 171.3
[M+Na-2H]- 272.142066 162.8
[M]+ 251.16685142 156.1
[M]- 251.16794858 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe