CID 84836

15209-14-0

Structural Information

Molecular Formula
C10H8N2O5
SMILES
C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O
InChI
InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
InChIKey
UTRLJOWPWILGSB-UHFFFAOYSA-N
Compound name
1-[(2,5-dioxopyrrol-1-yl)methoxymethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

934
Patents

236.04332 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05060 150.8
[M+Na]+ 259.03254 160.3
[M+NH4]+ 254.07714 155.6
[M+K]+ 275.00648 160.3
[M-H]- 235.03604 149.8
[M+Na-2H]- 257.01799 153.4
[M]+ 236.04277 151.3
[M]- 236.04387 151.3
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