CID 3035647

96602-46-9

Structural Information

Molecular Formula

C₁₁H₈N₄O₅

SMILES

C1CC(=O)N(C1=O)OC(=O)C2=C(C=C(C=C2)N=[N+]=[N-])O

InChI

InChI=1S/C11H8N4O5/c12-14-13-6-1-2-7(8(16)5-6)11(19)20-15-9(17)3-4-10(15)18/h1-2,5,16H,3-4H2

InChIKey

RBAFCMJBDZWZIV-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 4-azido-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1993
Patents: 276.04947 Da
Monoisotopic Mass: 2.0
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]+	277.05675	155.5
[M+Na]+	299.03869	162.4
[M-H]-	275.04219	162.9
[M+NH4]+	294.08329	171.0
[M+K]+	315.01263	155.9
[M+H-H2O]+	259.04673	151.9
[M+HCOO]-	321.04767	183.1
[M+CH3COO]-	335.06332	195.9
[M+Na-2H]-	297.02414	161.6
[M]+	276.04892	153.4
[M]-	276.05002	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe