CID 200317

1507-74-0

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

CCCC1(CCN(C1C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H25NO/c1-5-9-16(10-11-17(3)13(16)2)14-7-6-8-15(12-14)18-4/h6-8,12-13H,5,9-11H2,1-4H3

InChIKey

UJSDWXCSENYRMK-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-1,2-dimethyl-3-propylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 247.19362 Da
Monoisotopic Mass: 4.0
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]+	248.20090	160.6
[M+Na]+	270.18284	172.9
[M+NH4]+	265.22744	170.6
[M+K]+	286.15678	165.0
[M-H]-	246.18634	164.1
[M+Na-2H]-	268.16829	168.1
[M]+	247.19307	163.5
[M]-	247.19417	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe