CID 5462814

Azodicarbonamide

Structural Information

Molecular Formula

C₂H₄N₄O₂

SMILES

C(=O)(N)/N=N/C(=O)N

InChI

InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)/b6-5+

InChIKey

XOZUGNYVDXMRKW-AATRIKPKSA-N

Compound name

(E)-carbamoyliminourea

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 87
References: 69955
Patents: 116.033424 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]+	117.04070	118.5
[M+Na]+	139.02264	125.3
[M-H]-	115.02615	121.3
[M+NH4]+	134.06725	140.4
[M+K]+	154.99658	127.2
[M+H-H2O]+	99.030684	112.2
[M+HCOO]-	161.03162	148.3
[M+CH3COO]-	175.04728	179.8
[M+Na-2H]-	137.00809	124.8
[M]+	116.03288	115.9
[M]-	116.03397	115.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.