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

2
Annotation Hits: 4
References: 1964
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]+	130.061106	122.8
[M+Na]+	152.043048	129.8
[M-H]-	128.046554	126.1
[M+NH4]+	147.087653	144.9
[M+K]+	168.016988	126.8
[M+H-H2O]+	112.051090	121.9
[M+HCOO]-	174.052031	153.8
[M+CH3COO]-	188.067681	174.1
[M+Na-2H]-	150.028496	133.0
[M]+	129.05328142	122.7
[M]-	129.05437858	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe