CID 10954698

N,n-diethyl-4-formylbenzamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

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

InChI

InChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-7-5-10(9-14)6-8-11/h5-9H,3-4H2,1-2H3

InChIKey

OTGRTWQLBHAZFG-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-formylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 205.11028 Da
Monoisotopic Mass: 0.7
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]+	206.11756	145.5
[M+Na]+	228.09950	152.2
[M-H]-	204.10300	150.5
[M+NH4]+	223.14410	165.0
[M+K]+	244.07344	151.3
[M+H-H2O]+	188.10754	138.9
[M+HCOO]-	250.10848	170.5
[M+CH3COO]-	264.12413	192.3
[M+Na-2H]-	226.08495	149.8
[M]+	205.10973	148.2
[M]-	205.11083	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe