CID 5098607

21994-89-8

Structural Information

Molecular Formula
C12H13N3O8
SMILES
C1CC(=O)N(C1=O)OC(=O)CCNC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C12H13N3O8/c16-7-1-2-8(17)14(7)22-11(20)5-6-13-12(21)23-15-9(18)3-4-10(15)19/h1-6H2,(H,13,21)
InChIKey
JWOINKOELUJJOB-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

327.07025 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07753 170.9
[M+Na]+ 350.05947 174.7
[M+NH4]+ 345.10407 172.1
[M+K]+ 366.03341 178.4
[M-H]- 326.06297 167.2
[M+Na-2H]- 348.04492 169.0
[M]+ 327.06970 169.2
[M]- 327.07080 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe