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: 18
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	139.9
[M+Na]+	217.09475	147.8
[M-H]-	193.09825	147.0
[M+NH4]+	212.13935	160.7
[M+K]+	233.06869	148.5
[M+H-H2O]+	177.10279	133.6
[M+HCOO]-	239.10373	166.6
[M+CH3COO]-	253.11938	197.3
[M+Na-2H]-	215.08020	143.7
[M]+	194.10498	142.5
[M]-	194.10608	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe