CID 409792

71595-23-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

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

InChI

InChI=1S/C12H17NO3/c1-3-13(4-2)8-12(16)9-5-6-10(14)11(15)7-9/h5-7,14-15H,3-4,8H2,1-2H3

InChIKey

YYBGWGLGOFFORL-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 223.12085 Da
Monoisotopic Mass: 1.7
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]+	224.128126	150.3
[M+Na]+	246.110068	156.6
[M-H]-	222.113574	152.7
[M+NH4]+	241.154673	167.8
[M+K]+	262.084008	155.1
[M+H-H2O]+	206.118110	144.1
[M+HCOO]-	268.119051	172.3
[M+CH3COO]-	282.134701	192.0
[M+Na-2H]-	244.095516	152.8
[M]+	223.12030142	151.8
[M]-	223.12139858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.