CID 122153

53053-08-0

Structural Information

Molecular Formula
C11H8N4O4
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
InChI
InChI=1S/C11H8N4O4/c12-14-13-8-3-1-7(2-4-8)11(18)19-15-9(16)5-6-10(15)17/h1-4H,5-6H2
InChIKey
LWAVGNJLLQSNNN-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-azidobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

2038
Patents

260.05457 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06185 153.3
[M+Na]+ 283.04379 160.0
[M-H]- 259.04729 161.7
[M+NH4]+ 278.08839 170.0
[M+K]+ 299.01773 153.8
[M+H-H2O]+ 243.05183 149.3
[M+HCOO]- 305.05277 182.2
[M+CH3COO]- 319.06842 195.1
[M+Na-2H]- 281.02924 160.0
[M]+ 260.05402 151.3
[M]- 260.05512 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe