CID 5462977

Diethyl azodicarboxylate

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

CCOC(=O)/N=N/C(=O)OCC

InChI

InChI=1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7+

InChIKey

FAMRKDQNMBBFBR-BQYQJAHWSA-N

Compound name

ethyl (NE)-N-ethoxycarbonyliminocarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 59
Patents: 174.06406 Da
Monoisotopic Mass: 1.7
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]+	175.07134	134.1
[M+Na]+	197.05328	141.1
[M-H]-	173.05678	137.5
[M+NH4]+	192.09788	155.2
[M+K]+	213.02722	143.7
[M+H-H2O]+	157.06132	128.0
[M+HCOO]-	219.06226	162.6
[M+CH3COO]-	233.07791	185.9
[M+Na-2H]-	195.03873	140.3
[M]+	174.06351	139.6
[M]-	174.06461	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe