CID 200298

1505-37-9

Structural Information

Molecular Formula

C₁₇H₂₇NO

SMILES

CCCC1C(CCN1C)(CCC)C2=CC(=CC=C2)O

InChI

InChI=1S/C17H27NO/c1-4-7-16-17(10-5-2,11-12-18(16)3)14-8-6-9-15(19)13-14/h6,8-9,13,16,19H,4-5,7,10-12H2,1-3H3

InChIKey

YYPMMJWMGPPZGW-UHFFFAOYSA-N

Compound name

3-(1-methyl-2,3-dipropylpyrrolidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.20926 Da
Monoisotopic Mass: 4.5
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]+	262.216536	164.4
[M+Na]+	284.198478	171.0
[M-H]-	260.201984	168.2
[M+NH4]+	279.243083	183.5
[M+K]+	300.172418	166.7
[M+H-H2O]+	244.206520	157.7
[M+HCOO]-	306.207461	183.2
[M+CH3COO]-	320.223111	196.6
[M+Na-2H]-	282.183926	165.0
[M]+	261.20871142	164.1
[M]-	261.20980858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.