CID 3051572

67466-53-9

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

C1C(NCC1(C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C16H17NO/c18-16(14-9-5-2-6-10-14)11-15(17-12-16)13-7-3-1-4-8-13/h1-10,15,17-18H,11-12H2

InChIKey

QRMCKBOJABNWFR-UHFFFAOYSA-N

Compound name

3,5-diphenylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.13101 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.13829	155.6
[M+Na]+	262.12023	161.7
[M-H]-	238.12373	161.2
[M+NH4]+	257.16483	173.6
[M+K]+	278.09417	156.0
[M+H-H2O]+	222.12827	147.7
[M+HCOO]-	284.12921	174.7
[M+CH3COO]-	298.14486	166.7
[M+Na-2H]-	260.10568	159.7
[M]+	239.13046	149.7
[M]-	239.13156	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe