CID 97268

Di-tert-butyl azodicarboxylate

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₄

SMILES

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

InChI

InChI=1S/C10H18N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3

InChIKey

QKSQWQOAUQFORH-UHFFFAOYSA-N

Compound name

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 14236
Patents: 230.12666 Da
Monoisotopic Mass: 2.9
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]+	231.133936	150.9
[M+Na]+	253.115878	157.3
[M-H]-	229.119384	154.3
[M+NH4]+	248.160483	170.3
[M+K]+	269.089818	159.9
[M+H-H2O]+	213.123920	145.8
[M+HCOO]-	275.124861	175.1
[M+CH3COO]-	289.140511	197.2
[M+Na-2H]-	251.101326	157.1
[M]+	230.12611142	156.8
[M]-	230.12720858	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe