CID 69480

Ethyl azidoacetate

Structural Information

Molecular Formula

C₄H₇N₃O₂

SMILES

CCOC(=O)CN=[N+]=[N-]

InChI

InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3

InChIKey

HVJJYOAPXBPQQV-UHFFFAOYSA-N

Compound name

ethyl 2-azidoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1968
Patents: 129.05383 Da
Monoisotopic Mass: 1.6
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]+	130.06111	123.8
[M+Na]+	152.04305	134.1
[M+NH4]+	147.08765	131.5
[M+K]+	168.01699	130.9
[M-H]-	128.04655	126.0
[M+Na-2H]-	150.02850	128.6
[M]+	129.05328	125.4
[M]-	129.05438	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe