CID 200897

Brn 2743528

Structural Information

Molecular Formula

C₁₇H₂₇NO₂

SMILES

CCOC1=CC=CC(=C1)C2(CCCCC2CN(C)C)O

InChI

InChI=1S/C17H27NO2/c1-4-20-16-10-7-9-14(12-16)17(19)11-6-5-8-15(17)13-18(2)3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3

InChIKey

JVIBPRFMADFLJQ-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.2042 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]+	278.211476	167.7
[M+Na]+	300.193418	171.5
[M-H]-	276.196924	173.5
[M+NH4]+	295.238023	185.3
[M+K]+	316.167358	169.5
[M+H-H2O]+	260.201460	160.4
[M+HCOO]-	322.202401	187.2
[M+CH3COO]-	336.218051	203.7
[M+Na-2H]-	298.178866	170.1
[M]+	277.20365142	166.2
[M]-	277.20474858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.