CID 308434

1-(3-methoxyphenyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC=CC(=C1)N2C(=O)C=CC2=O
InChI
InChI=1S/C11H9NO3/c1-15-9-4-2-3-8(7-9)12-10(13)5-6-11(12)14/h2-7H,1H3
InChIKey
UNCUTNPWBZKJHD-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

855
Patents

203.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.7
[M+Na]+ 226.04746 149.7
[M-H]- 202.05096 146.0
[M+NH4]+ 221.09206 159.5
[M+K]+ 242.02140 147.3
[M+H-H2O]+ 186.05550 132.9
[M+HCOO]- 248.05644 164.2
[M+CH3COO]- 262.07209 183.7
[M+Na-2H]- 224.03291 143.9
[M]+ 203.05769 141.7
[M]- 203.05879 141.7
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