CID 77789

4137-12-6

Structural Information

Molecular Formula
C11H8N2O4
SMILES
C=C1CC(=O)N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O4/c1-7-6-10(14)12(11(7)15)8-2-4-9(5-3-8)13(16)17/h2-5H,1,6H2
InChIKey
SAUNUEJOWUIADF-UHFFFAOYSA-N
Compound name
3-methylidene-1-(4-nitrophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.0484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05568 147.4
[M+Na]+ 255.03762 155.9
[M-H]- 231.04112 153.6
[M+NH4]+ 250.08222 164.9
[M+K]+ 271.01156 148.7
[M+H-H2O]+ 215.04566 145.2
[M+HCOO]- 277.04660 171.3
[M+CH3COO]- 291.06225 183.4
[M+Na-2H]- 253.02307 151.6
[M]+ 232.04785 144.7
[M]- 232.04895 144.7
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

patents stripe