CID 133440

80307-12-6

Structural Information

Molecular Formula
C12H12N2O6
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O
InChI
InChI=1S/C12H12N2O6/c15-8-3-4-9(16)13(8)7-1-2-12(19)20-14-10(17)5-6-11(14)18/h3-4H,1-2,5-7H2
InChIKey
PVGATNRYUYNBHO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

20020
Patents

280.06955 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07683 157.5
[M+Na]+ 303.05877 165.6
[M-H]- 279.06227 162.0
[M+NH4]+ 298.10337 174.0
[M+K]+ 319.03271 164.1
[M+H-H2O]+ 263.06681 150.7
[M+HCOO]- 325.06775 178.2
[M+CH3COO]- 339.08340 196.2
[M+Na-2H]- 301.04422 155.5
[M]+ 280.06900 160.1
[M]- 280.07010 160.1
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