CID 4432628

79642-50-5

Structural Information

Molecular Formula
C13H14N2O8
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C13H14N2O8/c16-8-4-5-9(17)14(8)22-12(20)2-1-3-13(21)23-15-10(18)6-7-11(15)19/h1-7H2
InChIKey
LNQHREYHFRFJAU-UHFFFAOYSA-N
Compound name
bis(2,5-dioxopyrrolidin-1-yl) pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

7460
Patents

326.075 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08228 165.8
[M+Na]+ 349.06422 171.9
[M-H]- 325.06772 169.8
[M+NH4]+ 344.10882 179.9
[M+K]+ 365.03816 171.7
[M+H-H2O]+ 309.07226 159.0
[M+HCOO]- 371.07320 184.2
[M+CH3COO]- 385.08885 203.6
[M+Na-2H]- 347.04967 162.0
[M]+ 326.07445 168.8
[M]- 326.07555 168.8
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

No patent data available for this compound.