CID 2781330

52094-05-0

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CNC1=C(C(=O)C1=O)NC

InChI

InChI=1S/C6H8N2O2/c1-7-3-4(8-2)6(10)5(3)9/h7-8H,1-2H3

InChIKey

FOGOBMREAIKYCG-UHFFFAOYSA-N

Compound name

3,4-bis(methylamino)cyclobut-3-ene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 140.05858 Da
Monoisotopic Mass: 0.0
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]+	141.06586	129.5
[M+Na]+	163.04780	136.1
[M+NH4]+	158.09240	132.8
[M+K]+	179.02174	133.1
[M-H]-	139.05130	128.3
[M+Na-2H]-	161.03325	132.2
[M]+	140.05803	128.6
[M]-	140.05913	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe