CID 5097903

Tert-butyl diazoacetate

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CC(C)(C)OC(=O)C=[N+]=[N-]

InChI

InChI=1S/C6H10N2O2/c1-6(2,3)10-5(9)4-8-7/h4H,1-3H3

InChIKey

JBVSBLLOZVDAAZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-diazoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1393
Patents: 142.07423 Da
Monoisotopic Mass: 1.4
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]+	143.08151	128.5
[M+Na]+	165.06345	139.0
[M+NH4]+	160.10805	136.0
[M+K]+	181.03739	136.5
[M-H]-	141.06695	129.3
[M+Na-2H]-	163.04890	132.5
[M]+	142.07368	129.9
[M]-	142.07478	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe