CID 120864

1-pyrrolidineethanol, alpha-(2,2-diphenylvinyl)-

Structural Information

Molecular Formula
C20H23NO
SMILES
C1CCN(C1)CC(C=C(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO/c22-19(16-21-13-7-8-14-21)15-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,15,19,22H,7-8,13-14,16H2
InChIKey
DAPHGRKXVIQDJV-UHFFFAOYSA-N
Compound name
4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 172.7
[M+Na]+ 316.167198 175.0
[M-H]- 292.170704 178.2
[M+NH4]+ 311.211803 186.5
[M+K]+ 332.141138 169.5
[M+H-H2O]+ 276.175240 163.4
[M+HCOO]- 338.176181 189.8
[M+CH3COO]- 352.191831 181.6
[M+Na-2H]- 314.152646 172.3
[M]+ 293.17743142 167.1
[M]- 293.17852858 167.1
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.