CID 237509

5132-30-9

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
InChIKey
PUKLCKVOVCZYKF-UHFFFAOYSA-N
Compound name
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4528
Patents

220.0484 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 143.2
[M+Na]+ 243.037618 153.6
[M-H]- 219.041124 148.3
[M+NH4]+ 238.082223 162.6
[M+K]+ 259.011558 151.3
[M+H-H2O]+ 203.045660 136.6
[M+HCOO]- 265.046601 166.5
[M+CH3COO]- 279.062251 185.9
[M+Na-2H]- 241.023066 143.8
[M]+ 220.04785142 145.1
[M]- 220.04894858 145.1
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