CID 162686

2-hydroxy-2',6'-diethylacetanilide

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CO

InChI

InChI=1S/C12H17NO2/c1-3-9-6-5-7-10(4-2)12(9)13-11(15)8-14/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)

InChIKey

JQQZSHMUVAYCDW-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)-2-hydroxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 207.12593 Da
Monoisotopic Mass: 1.2
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]+	208.133206	147.4
[M+Na]+	230.115148	154.1
[M-H]-	206.118654	149.8
[M+NH4]+	225.159753	165.8
[M+K]+	246.089088	151.5
[M+H-H2O]+	190.123190	141.4
[M+HCOO]-	252.124131	170.1
[M+CH3COO]-	266.139781	188.3
[M+Na-2H]-	228.100596	151.1
[M]+	207.12538142	148.0
[M]-	207.12647858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe