CID 59293

Carvacrol, 3-(2-(dimethylamino)ethoxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)O

InChI

InChI=1S/C14H23NO2/c1-10(2)12-7-6-11(3)13(16)14(12)17-9-8-15(4)5/h6-7,10,16H,8-9H2,1-5H3

InChIKey

UZOMBHOFSZKLPJ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.17288 Da
Monoisotopic Mass: 3.1
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]+	238.180156	156.8
[M+Na]+	260.162098	163.5
[M-H]-	236.165604	160.7
[M+NH4]+	255.206703	175.0
[M+K]+	276.136038	162.5
[M+H-H2O]+	220.170140	150.5
[M+HCOO]-	282.171081	179.2
[M+CH3COO]-	296.186731	200.6
[M+Na-2H]-	258.147546	158.1
[M]+	237.17233142	160.6
[M]-	237.17342858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe