CID 3057969

74332-80-2

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

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

InChI

InChI=1S/C15H23NO/c1-3-6-15(16-11-4-5-12-16)13-7-9-14(17-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3

InChIKey

OGDQQIOZHSSBOV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.17796 Da
Monoisotopic Mass: 3.5
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]+	234.185236	157.4
[M+Na]+	256.167178	162.0
[M-H]-	232.170684	161.8
[M+NH4]+	251.211783	175.5
[M+K]+	272.141118	159.4
[M+H-H2O]+	216.175220	149.5
[M+HCOO]-	278.176161	177.3
[M+CH3COO]-	292.191811	192.3
[M+Na-2H]-	254.152626	158.4
[M]+	233.17741142	156.4
[M]-	233.17850858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe