CID 96304

1521-02-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN(C)C1=CC(=O)C(=CC1=O)N(C)C

InChI

InChI=1S/C10H14N2O2/c1-11(2)7-5-10(14)8(12(3)4)6-9(7)13/h5-6H,1-4H3

InChIKey

BZZIJKWURTYMLH-UHFFFAOYSA-N

Compound name

2,5-bis(dimethylamino)cyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 194.10553 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]+	195.11281	142.1
[M+Na]+	217.09475	153.0
[M+NH4]+	212.13935	149.8
[M+K]+	233.06869	148.2
[M-H]-	193.09825	145.0
[M+Na-2H]-	215.08020	147.7
[M]+	194.10498	144.2
[M]-	194.10608	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe