CID 5097903

Tert-butyl 2-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: 1514
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	128.6
[M+Na]+	165.06345	136.0
[M-H]-	141.06695	130.9
[M+NH4]+	160.10805	150.3
[M+K]+	181.03739	132.0
[M+H-H2O]+	125.07149	129.0
[M+HCOO]-	187.07243	155.2
[M+CH3COO]-	201.08808	171.9
[M+Na-2H]-	163.04890	138.1
[M]+	142.07368	127.7
[M]-	142.07478	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe