CID 96246

3236-55-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CNC(=O)C1=CC=C(C=C1)C(=O)NC

InChI

InChI=1S/C10H12N2O2/c1-11-9(13)7-3-5-8(6-4-7)10(14)12-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey

VKYXUDRHHMRYIY-UHFFFAOYSA-N

Compound name

1-N,4-N-dimethylbenzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 192.08987 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]+	193.09715	141.5
[M+Na]+	215.07909	147.8
[M-H]-	191.08259	145.4
[M+NH4]+	210.12369	160.4
[M+K]+	231.05303	146.4
[M+H-H2O]+	175.08713	135.0
[M+HCOO]-	237.08807	166.6
[M+CH3COO]-	251.10372	188.0
[M+Na-2H]-	213.06454	146.5
[M]+	192.08932	140.6
[M]-	192.09042	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe