CID 89613043

3-dbp

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1/C(=C\C2=C(C=C(C=C2)O)O)/C(=O)NC1=O
InChI
InChI=1S/C11H9NO4/c13-8-2-1-6(9(14)5-8)3-7-4-10(15)12-11(7)16/h1-3,5,13-14H,4H2,(H,12,15,16)/b7-3+
InChIKey
PTHHGONJHHJYIU-XVNBXDOJSA-N
Compound name
(3E)-3-[(2,4-dihydroxyphenyl)methylidene]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

219.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 147.8
[M+Na]+ 242.04238 158.2
[M+NH4]+ 237.08698 153.4
[M+K]+ 258.01632 155.8
[M-H]- 218.04588 147.6
[M+Na-2H]- 240.02783 151.1
[M]+ 219.05261 148.7
[M]- 219.05371 148.7
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