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

244
Patents

226.0702 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07748 146.0
[M+Na]+ 249.05942 152.2
[M-H]- 225.06292 150.8
[M+NH4]+ 244.10402 164.3
[M+K]+ 265.03336 147.4
[M+H-H2O]+ 209.06746 143.1
[M+HCOO]- 271.06840 174.5
[M+CH3COO]- 285.08405 189.3
[M+Na-2H]- 247.04487 152.6
[M]+ 226.06965 145.0
[M]- 226.07075 145.0
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