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 164.9
[M+Na]+ 350.05947 170.5
[M-H]- 326.06297 169.2
[M+NH4]+ 345.10407 178.7
[M+K]+ 366.03341 170.6
[M+H-H2O]+ 310.06751 157.8
[M+HCOO]- 372.06845 184.7
[M+CH3COO]- 386.08410 205.4
[M+Na-2H]- 348.04492 162.4
[M]+ 327.06970 166.7
[M]- 327.07080 166.7
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