CID 95715

Ethylenimine quinone

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1CN1C2=CC(=O)C(=CC2=O)N3CC3

InChI

InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2

InChIKey

RCWJMKCTHJPXJV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 156
Patents: 190.07423 Da
Monoisotopic Mass: 0.2
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]+	191.08151	127.7
[M+Na]+	213.06345	141.6
[M+NH4]+	208.10805	135.6
[M+K]+	229.03739	140.0
[M-H]-	189.06695	142.2
[M+Na-2H]-	211.04890	139.6
[M]+	190.07368	135.6
[M]-	190.07478	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe