CID 57595

Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalate

Structural Information

Molecular Formula

C₁₈H₂₉NO₃

SMILES

CN(C)CCOC(C1=CC=CC=C1)(C2(CCCCC2)O)OC

InChI

InChI=1S/C18H29NO3/c1-19(2)14-15-22-18(21-3,16-10-6-4-7-11-16)17(20)12-8-5-9-13-17/h4,6-7,10-11,20H,5,8-9,12-15H2,1-3H3

InChIKey

AGUGPAHTRATSNM-UHFFFAOYSA-N

Compound name

1-[2-(dimethylamino)ethoxy-methoxy-phenylmethyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.21475 Da
Monoisotopic Mass: 2.4
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]+	308.222026	175.6
[M+Na]+	330.203968	177.3
[M-H]-	306.207474	180.5
[M+NH4]+	325.248573	191.3
[M+K]+	346.177908	176.2
[M+H-H2O]+	290.212010	168.0
[M+HCOO]-	352.212951	193.3
[M+CH3COO]-	366.228601	206.8
[M+Na-2H]-	328.189416	179.8
[M]+	307.21420142	174.6
[M]-	307.21529858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.