CID 29407

1-(4-ethoxyphenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C=CC2=O
InChI
InChI=1S/C12H11NO3/c1-2-16-10-5-3-9(4-6-10)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3
InChIKey
HLQZPKWGAFLVHJ-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

217.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.4
[M+Na]+ 240.06312 153.9
[M-H]- 216.06662 150.5
[M+NH4]+ 235.10772 163.6
[M+K]+ 256.03706 151.3
[M+H-H2O]+ 200.07116 137.4
[M+HCOO]- 262.07210 168.6
[M+CH3COO]- 276.08775 186.7
[M+Na-2H]- 238.04857 148.0
[M]+ 217.07335 146.7
[M]- 217.07445 146.7
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