CID 182773

N-ethyl-3-formylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CCNC(=O)C1=CC=CC(=C1)C=O

InChI

InChI=1S/C10H11NO2/c1-2-11-10(13)9-5-3-4-8(6-9)7-12/h3-7H,2H2,1H3,(H,11,13)

InChIKey

YSRDIXULXFNNEI-UHFFFAOYSA-N

Compound name

N-ethyl-3-formylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 177.07898 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]+	178.08626	137.9
[M+Na]+	200.06820	149.6
[M+NH4]+	195.11280	145.7
[M+K]+	216.04214	143.5
[M-H]-	176.07170	139.8
[M+Na-2H]-	198.05365	144.4
[M]+	177.07843	139.9
[M]-	177.07953	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe