CID 59248187

943858-70-6

Structural Information

Molecular Formula

C₈H₁₀N₄O₄

SMILES

C1CC(=O)N(C1=O)OC(=O)CCCN=[N+]=[N-]

InChI

InChI=1S/C8H10N4O4/c9-11-10-5-1-2-8(15)16-12-6(13)3-4-7(12)14/h1-5H2

InChIKey

YYULROINNKAMIB-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 4-azidobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 226.0702 Da
Monoisotopic Mass: 0.4
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]+	227.07748	147.6
[M+Na]+	249.05942	155.7
[M+NH4]+	244.10402	152.9
[M+K]+	265.03336	155.4
[M-H]-	225.06292	148.8
[M+Na-2H]-	247.04487	150.0
[M]+	226.06965	148.3
[M]-	226.07075	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe