CID 204390

16226-59-8

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

CCCCN1CCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO/c1-2-3-16-22-17-10-15-20(22)21(23,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,23H,2-3,10,15-17H2,1H3

InChIKey

PFQSSMKHKLCPPA-UHFFFAOYSA-N

Compound name

(1-butylpyrrolidin-2-yl)-diphenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 309.20926 Da
Monoisotopic Mass: 4.4
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]+	310.216536	177.4
[M+Na]+	332.198478	180.9
[M-H]-	308.201984	183.2
[M+NH4]+	327.243083	191.2
[M+K]+	348.172418	175.3
[M+H-H2O]+	292.206520	168.4
[M+HCOO]-	354.207461	194.4
[M+CH3COO]-	368.223111	203.0
[M+Na-2H]-	330.183926	179.0
[M]+	309.20871142	174.1
[M]-	309.20980858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe