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

19
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 145.4
[M+Na]+ 242.04238 154.2
[M-H]- 218.04588 147.6
[M+NH4]+ 237.08698 162.4
[M+K]+ 258.01632 149.3
[M+H-H2O]+ 202.05042 139.5
[M+HCOO]- 264.05136 164.2
[M+CH3COO]- 278.06701 178.8
[M+Na-2H]- 240.02783 146.5
[M]+ 219.05261 141.4
[M]- 219.05371 141.4
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