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]+ 218.081176 144.1
[M+Na]+ 240.063118 153.9
[M-H]- 216.066624 150.3
[M+NH4]+ 235.107723 163.5
[M+K]+ 256.037058 150.8
[M+H-H2O]+ 200.071160 137.6
[M+HCOO]- 262.072101 167.0
[M+CH3COO]- 276.087751 187.5
[M+Na-2H]- 238.048566 146.2
[M]+ 217.07335142 144.8
[M]- 217.07444858 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

literature stripe

Patent stripe

patents stripe