CID 2456565

93390-71-7

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCN(CC)CC1=C(C=CC(=C1)C(=O)C)O

InChI

InChI=1S/C13H19NO2/c1-4-14(5-2)9-12-8-11(10(3)15)6-7-13(12)16/h6-8,16H,4-5,9H2,1-3H3

InChIKey

WAEQXRCDSKZJNU-UHFFFAOYSA-N

Compound name

1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 221.14159 Da
Monoisotopic Mass: 1.8
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]+	222.148866	151.4
[M+Na]+	244.130808	157.8
[M-H]-	220.134314	155.1
[M+NH4]+	239.175413	169.8
[M+K]+	260.104748	156.3
[M+H-H2O]+	204.138850	145.0
[M+HCOO]-	266.139791	174.3
[M+CH3COO]-	280.155441	195.5
[M+Na-2H]-	242.116256	153.8
[M]+	221.14104142	153.7
[M]-	221.14213858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe