CID 61256

Tert-butyl azidoformate

Structural Information

Molecular Formula

C₅H₉N₃O₂

SMILES

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

InChI

InChI=1S/C5H9N3O2/c1-5(2,3)10-4(9)7-8-6/h1-3H3

InChIKey

ISHLCKAQWKBMAU-UHFFFAOYSA-N

Compound name

tert-butyl N-diazocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1057
Patents: 143.06947 Da
Monoisotopic Mass: 2.5
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]+	144.07675	127.7
[M+Na]+	166.05869	137.6
[M+NH4]+	161.10329	135.2
[M+K]+	182.03263	135.5
[M-H]-	142.06219	129.3
[M+Na-2H]-	164.04414	132.2
[M]+	143.06892	129.2
[M]-	143.07002	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe