CID 4020482

Methyl 2-azidoacetate

Structural Information

Molecular Formula

C₃H₅N₃O₂

SMILES

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

InChI

InChI=1S/C3H5N3O2/c1-8-3(7)2-5-6-4/h2H2,1H3

InChIKey

RXYCUKSOYJWGPE-UHFFFAOYSA-N

Compound name

methyl 2-azidoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 941
Patents: 115.03818 Da
Monoisotopic Mass: 1.2
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]+	116.04546	118.0
[M+Na]+	138.02740	125.4
[M-H]-	114.03090	121.5
[M+NH4]+	133.07200	140.7
[M+K]+	154.00134	122.6
[M+H-H2O]+	98.035440	117.3
[M+HCOO]-	160.03638	149.3
[M+CH3COO]-	174.05203	171.0
[M+Na-2H]-	136.01285	128.7
[M]+	115.03763	117.5
[M]-	115.03873	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe