CID 74204

1-benzyl-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C11H9NO2
SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
InChI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
MKRBAPNEJMFMHU-UHFFFAOYSA-N
Compound name
1-benzylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

13674
Patents

187.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.2
[M+Na]+ 210.05254 146.5
[M-H]- 186.05604 143.1
[M+NH4]+ 205.09714 157.4
[M+K]+ 226.02648 143.5
[M+H-H2O]+ 170.06058 130.3
[M+HCOO]- 232.06152 161.6
[M+CH3COO]- 246.07717 180.5
[M+Na-2H]- 208.03799 142.0
[M]+ 187.06277 137.4
[M]- 187.06387 137.4
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