CID 3048238

63886-34-0

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

COC1=CC=CC2=C1CCCC2N3CCCC3

InChI

InChI=1S/C15H21NO/c1-17-15-9-5-6-12-13(15)7-4-8-14(12)16-10-2-3-11-16/h5-6,9,14H,2-4,7-8,10-11H2,1H3

InChIKey

DXSKTBQOILPDGW-UHFFFAOYSA-N

Compound name

1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 231.16231 Da
Monoisotopic Mass: 3.0
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]+	232.169586	154.7
[M+Na]+	254.151528	159.9
[M-H]-	230.155034	159.8
[M+NH4]+	249.196133	173.8
[M+K]+	270.125468	156.3
[M+H-H2O]+	214.159570	146.8
[M+HCOO]-	276.160511	172.4
[M+CH3COO]-	290.176161	165.9
[M+Na-2H]-	252.136976	156.9
[M]+	231.16176142	150.5
[M]-	231.16285858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe