CID 39241640

Akos008975198

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-3-13(7-8-14)12(15)11-6-4-5-10(2)9-11/h4-6,9,14H,3,7-8H2,1-2H3

InChIKey

KVTUZBGZTRABBQ-UHFFFAOYSA-N

Compound name

N-ethyl-N-(2-hydroxyethyl)-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 1.0
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]+	208.13321	147.6
[M+Na]+	230.11515	153.6
[M-H]-	206.11865	151.2
[M+NH4]+	225.15975	166.4
[M+K]+	246.08909	152.4
[M+H-H2O]+	190.12319	141.2
[M+HCOO]-	252.12413	170.9
[M+CH3COO]-	266.13978	190.6
[M+Na-2H]-	228.10060	151.3
[M]+	207.12538	149.1
[M]-	207.12648	149.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.