CID 12382175

Ethyl 4-azidobutanoate

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C6H11N3O2/c1-2-11-6(10)4-3-5-8-9-7/h2-5H2,1H3

InChIKey

ZPQNOPCJUCMNTL-UHFFFAOYSA-N

Compound name

ethyl 4-azidobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 157.08513 Da
Monoisotopic Mass: 1.7
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]+	158.09241	132.4
[M+Na]+	180.07435	138.6
[M-H]-	156.07785	135.4
[M+NH4]+	175.11895	153.4
[M+K]+	196.04829	135.0
[M+H-H2O]+	140.08239	131.0
[M+HCOO]-	202.08333	162.7
[M+CH3COO]-	216.09898	180.2
[M+Na-2H]-	178.05980	141.5
[M]+	157.08458	133.0
[M]-	157.08568	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe