CID 13520348

93413-79-7

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

CN(C)CC(C1=CCCCC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h7,9-12,17H,4-6,8,13H2,1-3H3

InChIKey

OARSYJZOOXFPDU-UHFFFAOYSA-N

Compound name

2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 259.1936 Da
Monoisotopic Mass: 3.7
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]+	260.200876	163.9
[M+Na]+	282.182818	166.9
[M-H]-	258.186324	170.7
[M+NH4]+	277.227423	180.5
[M+K]+	298.156758	165.1
[M+H-H2O]+	242.190860	155.5
[M+HCOO]-	304.191801	185.1
[M+CH3COO]-	318.207451	204.0
[M+Na-2H]-	280.168266	165.9
[M]+	259.19305142	162.8
[M]-	259.19414858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe