CID 12192

Ethyl diazoacetate

Structural Information

Molecular Formula

C₄H₆N₂O₂

SMILES

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

InChI

InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3

InChIKey

YVPJCJLMRRTDMQ-UHFFFAOYSA-N

Compound name

ethyl 2-diazoacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 133
References: 11407
Patents: 114.04293 Da
Monoisotopic Mass: 0.7
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]+	115.050206	119.9
[M+Na]+	137.032148	127.6
[M-H]-	113.035654	122.0
[M+NH4]+	132.076753	142.4
[M+K]+	153.006088	123.7
[M+H-H2O]+	97.040190	119.9
[M+HCOO]-	159.041131	148.6
[M+CH3COO]-	173.056781	166.4
[M+Na-2H]-	135.017596	129.4
[M]+	114.04238142	118.8
[M]-	114.04347858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe