CID 182770

3-formyl-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CN(C)C(=O)C1=CC=CC(=C1)C=O

InChI

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

InChIKey

MYTDKUFZGNDHRL-UHFFFAOYSA-N

Compound name

3-formyl-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 177.07898 Da
Monoisotopic Mass: 0.5
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	136.0
[M+Na]+	200.06820	143.6
[M-H]-	176.07170	141.4
[M+NH4]+	195.11280	156.6
[M+K]+	216.04214	143.2
[M+H-H2O]+	160.07624	129.9
[M+HCOO]-	222.07718	161.7
[M+CH3COO]-	236.09283	186.3
[M+Na-2H]-	198.05365	141.4
[M]+	177.07843	138.0
[M]-	177.07953	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe