CID 5363146

Diisopropyl azodicarboxylate

Structural Information

Molecular Formula

C₈H₁₄N₂O₄

SMILES

CC(C)OC(=O)/N=N/C(=O)OC(C)C

InChI

InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+

InChIKey

VVWRJUBEIPHGQF-MDZDMXLPSA-N

Compound name

propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 29214
Patents: 202.09535 Da
Monoisotopic Mass: 2.6
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]+	203.10263	145.1
[M+Na]+	225.08457	151.7
[M+NH4]+	220.12917	150.2
[M+K]+	241.05851	149.6
[M-H]-	201.08807	143.4
[M+Na-2H]-	223.07002	146.6
[M]+	202.09480	144.9
[M]-	202.09590	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe