CID 22908336

66170-31-8

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

CN(C)CC1CCCC=C1C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-11,14H,4-5,7,12H2,1-3H3

InChIKey

NLNQAKPOVVMNEG-UHFFFAOYSA-N

Compound name

1-[2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 245.17796 Da
Monoisotopic Mass: 3.3
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]+	246.18524	158.7
[M+Na]+	268.16718	163.5
[M-H]-	244.17068	166.0
[M+NH4]+	263.21178	176.4
[M+K]+	284.14112	161.4
[M+H-H2O]+	228.17522	150.7
[M+HCOO]-	290.17616	181.3
[M+CH3COO]-	304.19181	201.3
[M+Na-2H]-	266.15263	161.8
[M]+	245.17741	158.3
[M]-	245.17851	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe