CID 28093

Deacetylmoxisylyte

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CC1=CC(=C(C=C1O)C(C)C)OCCN(C)C

InChI

InChI=1S/C14H23NO2/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5/h8-10,16H,6-7H2,1-5H3

InChIKey

HJGRPZCEBPNMDU-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 77
Patents: 237.17288 Da
Monoisotopic Mass: 2.9
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]+	238.18016	156.8
[M+Na]+	260.16210	163.5
[M-H]-	236.16560	160.7
[M+NH4]+	255.20670	175.0
[M+K]+	276.13604	162.5
[M+H-H2O]+	220.17014	150.5
[M+HCOO]-	282.17108	179.2
[M+CH3COO]-	296.18673	200.6
[M+Na-2H]-	258.14755	158.1
[M]+	237.17233	160.6
[M]-	237.17343	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe