CID 207780

1-(3,3-diphenylallyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C19H21N
SMILES
C1CCN(C1)CC=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1-6,9-13H,7-8,14-16H2
InChIKey
ADGHGCSSDLVPFQ-UHFFFAOYSA-N
Compound name
1-(3,3-diphenylprop-2-enyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 164.6
[M+Na]+ 286.15662 168.2
[M-H]- 262.16012 171.5
[M+NH4]+ 281.20122 180.5
[M+K]+ 302.13056 162.7
[M+H-H2O]+ 246.16466 155.1
[M+HCOO]- 308.16560 184.4
[M+CH3COO]- 322.18125 174.9
[M+Na-2H]- 284.14207 166.2
[M]+ 263.16685 159.7
[M]- 263.16795 159.7
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.