CID 3057965

H 116

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCC(C1=CC=C(C=C1)OC)N2CCCC2

InChI

InChI=1S/C14H21NO/c1-3-14(15-10-4-5-11-15)12-6-8-13(16-2)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3

InChIKey

QGSGRXFJNKSDGP-UHFFFAOYSA-N

Compound name

1-[1-(4-methoxyphenyl)propyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 3.1
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]+	220.169586	152.8
[M+Na]+	242.151528	157.9
[M-H]-	218.155034	157.4
[M+NH4]+	237.196133	171.4
[M+K]+	258.125468	155.5
[M+H-H2O]+	202.159570	145.1
[M+HCOO]-	264.160511	173.0
[M+CH3COO]-	278.176161	189.3
[M+Na-2H]-	240.136976	154.3
[M]+	219.16176142	151.4
[M]-	219.16285858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe