CID 99443

N-(4-methoxyphenyl)itaconimide

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
InChI
InChI=1S/C12H11NO3/c1-8-7-11(14)13(12(8)15)9-3-5-10(16-2)6-4-9/h3-6H,1,7H2,2H3
InChIKey
WBDXCBZSLZXLCT-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.1
[M+Na]+ 240.06312 153.9
[M-H]- 216.06662 150.3
[M+NH4]+ 235.10772 163.5
[M+K]+ 256.03706 150.8
[M+H-H2O]+ 200.07116 137.6
[M+HCOO]- 262.07210 167.0
[M+CH3COO]- 276.08775 187.5
[M+Na-2H]- 238.04857 146.2
[M]+ 217.07335 144.8
[M]- 217.07445 144.8
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

No patent data available for this compound.